EcoDrugPlus


Keyword(s):	Drinking Water Chemicals
Molecule Category	Free-form
UNII	2K4430S3XP
EPA CompTox	DTXSID4041527

Keyword(s):

Drinking Water Chemicals

Molecule Category

Free-form

UNII

2K4430S3XP

EPA CompTox

DTXSID4041527


InChI Key	JWUXJYZVKZKLTJ-UHFFFAOYSA-N
Smiles	CC1(C)CC(=O)CC(C)(C)N1
InChI	InChI=1S/C9H17NO/c1-8(2)5-7(11)6-9(3,4)10-8/h10H,5-6H2,1-4H3

InChI Key

JWUXJYZVKZKLTJ-UHFFFAOYSA-N

Smiles

CC1(C)CC(=O)CC(C)(C)N1

InChI

InChI=1S/C9H17NO/c1-8(2)5-7(11)6-9(3,4)10-8/h10H,5-6H2,1-4H3

Property Name	Value
Molecular Formula	C9H17N1O1
Molecular Weight	155.13
AlogP	1.5
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Polar Surface Area	29.1
Heavy Atoms	11.0

Property Name

Value

Molecular Formula

C9H17N1O1

Molecular Weight

155.13

AlogP

1.5

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

1.0

Polar Surface Area

29.1

Heavy Atoms

11.0

Resources	Reference
CAS NUMBER	826-36-8
NORMAN SUSDAT
FDA SRS	2K4430S3XP
PubChem	13220
ChemSpider	12665.0

Resources

Reference

CAS NUMBER

826-36-8

NORMAN SUSDAT

FDA SRS

2K4430S3XP

PubChem

13220

ChemSpider

12665.0

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...

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Last update: Monday, 3 November 2025

2,2,6,6-TETRAMETHYL-4-PIPERIDONE

Structure

Physicochemical Descriptors

Cross References