EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	FMD47JE5C3
EPA CompTox	DTXSID90191592

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

FMD47JE5C3

EPA CompTox

DTXSID90191592


InChI Key	UNEIHNMKASENIG-UHFFFAOYSA-N
Smiles	C1CN(CCN1)C2=CC=C(C=C2)Cl
InChI	InChI=1S/C10H13ClN2/c11-9-1-3-10(4-2-9)13-7-5-12-6-8-13/h1-4,12H,5-8H2

InChI Key

UNEIHNMKASENIG-UHFFFAOYSA-N

Smiles

C1CN(CCN1)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C10H13ClN2/c11-9-1-3-10(4-2-9)13-7-5-12-6-8-13/h1-4,12H,5-8H2

Property Name	Value
Molecular Formula	C10H13Cl1N2
Molecular Weight	196.08
AlogP	1.75
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	1.0
Polar Surface Area	15.27
Heavy Atoms	13.0

Property Name

Value

Molecular Formula

C10H13Cl1N2

Molecular Weight

196.08

AlogP

1.75

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

1.0

Polar Surface Area

15.27

Heavy Atoms

13.0

Resources	Reference
CAS NUMBER	38212-33-8
NORMAN SUSDAT
FDA SRS	FMD47JE5C3
PubChem	97478
ChemSpider	87985.0

Resources

Reference

CAS NUMBER

38212-33-8

NORMAN SUSDAT

FDA SRS

FMD47JE5C3

PubChem

97478

ChemSpider

87985.0

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

1-(4-CHLOROPHENYL)PIPERAZINE

Structure

Physicochemical Descriptors

Cross References