EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	K43YG8V8FV
EPA CompTox	DTXSID10204416

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

K43YG8V8FV

EPA CompTox

DTXSID10204416


InChI Key	LISGMSBYRAXPJH-UHFFFAOYSA-N
Smiles	Clc1cc(cc(Cl)c1)N1CCNCC1
InChI	InChI=1S/C10H12Cl2N2/c11-8-5-9(12)7-10(6-8)14-3-1-13-2-4-14/h5-7,13H,1-4H2

InChI Key

LISGMSBYRAXPJH-UHFFFAOYSA-N

Smiles

Clc1cc(cc(Cl)c1)N1CCNCC1

InChI

InChI=1S/C10H12Cl2N2/c11-8-5-9(12)7-10(6-8)14-3-1-13-2-4-14/h5-7,13H,1-4H2

Property Name	Value
Molecular Formula	C10H12Cl2N2
Molecular Weight	230.04
AlogP	2.4
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	1.0
Polar Surface Area	15.27
Heavy Atoms	14.0

Property Name

Value

Molecular Formula

C10H12Cl2N2

Molecular Weight

230.04

AlogP

2.4

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

1.0

Polar Surface Area

15.27

Heavy Atoms

14.0

Resources	Reference
CAS NUMBER	55827-50-4
NORMAN SUSDAT
FDA SRS	K43YG8V8FV
PubChem	2736067
ChemSpider	2017745.0

Resources

Reference

CAS NUMBER

55827-50-4

NORMAN SUSDAT

FDA SRS

K43YG8V8FV

PubChem

2736067

ChemSpider

2017745.0

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-(3,5-DICHLOROPHENYL)PIPERAZINE

Structure

Physicochemical Descriptors

Cross References