EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	TTL9F858M2
EPA CompTox	DTXSID40177700

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

TTL9F858M2

EPA CompTox

DTXSID40177700


InChI Key	YGDZKYYCJUNORF-UHFFFAOYSA-N
Smiles	CCC[NH+]1CCC(=O)CC1
InChI	InChI=1S/C8H15NO/c1-2-5-9-6-3-8(10)4-7-9/h2-7H2,1H3

InChI Key

YGDZKYYCJUNORF-UHFFFAOYSA-N

Smiles

CCC[NH+]1CCC(=O)CC1

InChI

InChI=1S/C8H15NO/c1-2-5-9-6-3-8(10)4-7-9/h2-7H2,1H3

Property Name	Value
Molecular Formula	C8H15N1O1
Molecular Weight	141.12
AlogP	1.06
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	2.0
Polar Surface Area	20.31
Heavy Atoms	10.0

Property Name

Value

Molecular Formula

C8H15N1O1

Molecular Weight

141.12

AlogP

1.06

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

2.0

Polar Surface Area

20.31

Heavy Atoms

10.0

Resources	Reference
CAS NUMBER	23133-37-1
NORMAN SUSDAT
FDA SRS	TTL9F858M2
PubChem	90006
ChemSpider	17781.0

Resources

Reference

CAS NUMBER

23133-37-1

NORMAN SUSDAT

FDA SRS

TTL9F858M2

PubChem

90006

ChemSpider

17781.0

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

1-PROPYL-4-PIPERIDONE

Structure

Physicochemical Descriptors

Cross References