EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	7NW772I64Y
EPA CompTox	DTXSID1074387

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

7NW772I64Y

EPA CompTox

DTXSID1074387


InChI Key	TXXNVPVRPSACBM-UHFFFAOYSA-N
Smiles	CC1(C)CC(O)CC(C)(C)N1O.CC1(C)CC(O)CC(C)(C)N1O.CC1(C)CC(O)CC(C)(C)N1O.OC(=O)CC(O)(CC(O)=O)C(O)=O
InChI	InChI=1S/C9H19NO2/c1-8(2)5-7(11)6-9(3,4)10(8)12/h7,11-12H,5-6H2,1-4H3

InChI Key

TXXNVPVRPSACBM-UHFFFAOYSA-N

Smiles

CC1(C)CC(O)CC(C)(C)N1O.CC1(C)CC(O)CC(C)(C)N1O.CC1(C)CC(O)CC(C)(C)N1O.OC(=O)CC(O)(CC(O)=O)C(O)=O

InChI

InChI=1S/C9H19NO2/c1-8(2)5-7(11)6-9(3,4)10(8)12/h7,11-12H,5-6H2,1-4H3

Property Name	Value
Molecular Formula	C9H19N1O2
Molecular Weight	173.14
AlogP	1.39
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	2.0
Polar Surface Area	43.7
Heavy Atoms	12.0

Property Name

Value

Molecular Formula

C9H19N1O2

Molecular Weight

173.14

AlogP

1.39

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

2.0

Polar Surface Area

43.7

Heavy Atoms

12.0

Resources	Reference
CAS NUMBER	220410-74-2
NORMAN SUSDAT
FDA SRS	7NW772I64Y
PubChem	22182978
ChemSpider	9792290.0

Resources

Reference

CAS NUMBER

220410-74-2

NORMAN SUSDAT

FDA SRS

7NW772I64Y

PubChem

22182978

ChemSpider

9792290.0

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

4-PIPERIDINOL, 1-HYDROXY-2,2,6,6-TETRAMETHYL-, 2-HYDROXY-1,2,3-PROPANETRICARBOXYLATE (3:1) (SALT)

Structure

Physicochemical Descriptors

Cross References