EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	44N9S1YCFM
EPA CompTox	DTXSID0061113

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

44N9S1YCFM

EPA CompTox

DTXSID0061113


InChI Key	RKMGAJGJIURJSJ-UHFFFAOYSA-N
Smiles	CC1(C)CCCC(C)(C)N1
InChI	InChI=1S/C9H19N/c1-8(2)6-5-7-9(3,4)10-8/h10H,5-7H2,1-4H3

InChI Key

RKMGAJGJIURJSJ-UHFFFAOYSA-N

Smiles

CC1(C)CCCC(C)(C)N1

InChI

InChI=1S/C9H19N/c1-8(2)6-5-7-9(3,4)10-8/h10H,5-7H2,1-4H3

Property Name	Value
Molecular Formula	C9H19N1
Molecular Weight	141.15
AlogP	2.32
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	1.0
Polar Surface Area	12.03
Heavy Atoms	10.0

Property Name

Value

Molecular Formula

C9H19N1

Molecular Weight

141.15

AlogP

2.32

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

1.0

Polar Surface Area

12.03

Heavy Atoms

10.0

Resources	Reference
CAS NUMBER	768-66-1
NORMAN SUSDAT
FDA SRS	44N9S1YCFM
PubChem	13035
ChemSpider	6000.0

Resources

Reference

CAS NUMBER

768-66-1

NORMAN SUSDAT

FDA SRS

44N9S1YCFM

PubChem

13035

ChemSpider

6000.0

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, 2025, gkaf1251 Read...

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

Last update: Monday, 3 November 2025

PIPERIDINE, 2,2,6,6-TETRAMETHYL-

Structure

Physicochemical Descriptors

Cross References