EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID50891566

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID50891566


InChI Key	LBSHKCUTMCYUOW-UHFFFAOYSA-N
Smiles	CC(=O)N1CCN(CC1)c1ccccc1Cl
InChI	InChI=1S/C12H15ClN2O/c1-10(16)14-6-8-15(9-7-14)12-5-3-2-4-11(12)13/h2-5H,6-9H2,1H3

InChI Key

LBSHKCUTMCYUOW-UHFFFAOYSA-N

Smiles

CC(=O)N1CCN(CC1)c1ccccc1Cl

InChI

InChI=1S/C12H15ClN2O/c1-10(16)14-6-8-15(9-7-14)12-5-3-2-4-11(12)13/h2-5H,6-9H2,1H3

Property Name	Value
Molecular Formula	C12H15Cl1N2O1
Molecular Weight	238.09
AlogP	2.01
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	1.0
Polar Surface Area	23.55
Heavy Atoms	16.0

Property Name

Value

Molecular Formula

C12H15Cl1N2O1

Molecular Weight

238.09

AlogP

2.01

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

1.0

Polar Surface Area

23.55

Heavy Atoms

16.0

Resources	Reference
CAS NUMBER	150557-82-7
NORMAN SUSDAT
PubChem	258328
ChemSpider	226679.0

Resources

Reference

CAS NUMBER

150557-82-7

NORMAN SUSDAT

PubChem

258328

ChemSpider

226679.0

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-[4-(2-CHLOROPHENYL)-1-PIPERAZINYL]ETHANONE

Structure

Physicochemical Descriptors

Cross References