EcoDrugPlus


Keyword(s):	Drinking Water Chemicals
Molecule Category	Free-form
EPA CompTox	DTXSID30189892

Keyword(s):

Drinking Water Chemicals

Molecule Category

Free-form

EPA CompTox

DTXSID30189892


InChI Key	KMEUSKGEUADGET-UHFFFAOYSA-N
Smiles	CC1(C)CC(=O)CC(C)(C)N1O
InChI	InChI=1S/C9H17NO2/c1-8(2)5-7(11)6-9(3,4)10(8)12/h12H,5-6H2,1-4H3

InChI Key

KMEUSKGEUADGET-UHFFFAOYSA-N

Smiles

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

InChI

InChI=1S/C9H17NO2/c1-8(2)5-7(11)6-9(3,4)10(8)12/h12H,5-6H2,1-4H3

Property Name	Value
Molecular Formula	C9H17NO2
Molecular Weight	171.13
AlogP	1.6
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	1.0
Polar Surface Area	40.54
Heavy Atoms	12.0

Property Name

Value

Molecular Formula

C9H17NO2

Molecular Weight

171.13

AlogP

1.6

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

1.0

Polar Surface Area

40.54

Heavy Atoms

12.0

Resources	Reference
CAS NUMBER	3637-11-4
NORMAN SUSDAT

Resources

Reference

CAS NUMBER

3637-11-4

NORMAN SUSDAT

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...

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Last update: Monday, 3 November 2025

1-HYDROXY-2,2,6,6-TETRAMETHYL-4-OXOPIPERIDINE

Structure

Physicochemical Descriptors

Cross References