EcoDrugPlus


Keyword(s):	Persistent mobile and Toxic Substances ; Drinking Water Chemicals ; Food Contact Chemicals
Molecule Category	Free-form
UNII	U78ZX2F65X
EPA CompTox	DTXSID4041280

Keyword(s):

Persistent mobile and Toxic Substances ; Drinking Water Chemicals ; Food Contact Chemicals

Molecule Category

Free-form

UNII

U78ZX2F65X

EPA CompTox

DTXSID4041280


InChI Key	UZFMOKQJFYMBGY-UHFFFAOYSA-N
Smiles	CC1(C)CC(O)CC(C)(C)N1[O]
InChI	InChI=1S/C9H18NO2/c1-8(2)5-7(11)6-9(3,4)10(8)12/h7,11H,5-6H2,1-4H3

InChI Key

UZFMOKQJFYMBGY-UHFFFAOYSA-N

Smiles

CC1(C)CC(O)CC(C)(C)N1[O]

InChI

InChI=1S/C9H18NO2/c1-8(2)5-7(11)6-9(3,4)10(8)12/h7,11H,5-6H2,1-4H3

Property Name	Value
Molecular Formula	C9H18N1O2
Molecular Weight	172.13
AlogP	1.35
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Polar Surface Area	43.37
Heavy Atoms	12.0

Property Name

Value

Molecular Formula

C9H18N1O2

Molecular Weight

172.13

AlogP

1.35

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

1.0

Polar Surface Area

43.37

Heavy Atoms

12.0

Resources	Reference
CAS NUMBER	2226-96-2
NORMAN SUSDAT
FDA SRS	U78ZX2F65X
PubChem	137994
ChemSpider	121639.0

Resources

Reference

CAS NUMBER

2226-96-2

NORMAN SUSDAT

FDA SRS

U78ZX2F65X

PubChem

137994

ChemSpider

121639.0

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

4-HYDROXY-2,2,6,6-TETRAMETHYLPIPERIDIN-1-YL)OXIDANYL

Structure

Physicochemical Descriptors

Cross References