EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Salt-form
EPA CompTox	DTXSID30956263

Keyword(s):

Human Metabolites

Molecule Category

Salt-form

EPA CompTox

DTXSID30956263


InChI Key	SZJBSCDUZKUYQE-UHFFFAOYSA-N
Smiles	Cl.Cl.ClCCCN1CCNCC1.O
InChI	InChI=1/C7H15ClN2.2ClH.H2O/c8-2-1-5-10-6-3-9-4-7-10;;;/h9H,1-7H2;2*1H;1H2

InChI Key

SZJBSCDUZKUYQE-UHFFFAOYSA-N

Smiles

Cl.Cl.ClCCCN1CCNCC1.O

InChI

InChI=1/C7H15ClN2.2ClH.H2O/c8-2-1-5-10-6-3-9-4-7-10;;;/h9H,1-7H2;2*1H;1H2

Property Name	Value
Molecular Formula	C7H15ClN2
Molecular Weight	252.06
AlogP	0.54
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	3.0
Polar Surface Area	46.77
Heavy Atoms	13.0

Property Name

Value

Molecular Formula

C7H15ClN2

Molecular Weight

252.06

AlogP

0.54

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

3.0

Polar Surface Area

46.77

Heavy Atoms

13.0

Resources	Reference
CAS NUMBER	34782-06-4
NORMAN SUSDAT
PubChem	577606

Resources

Reference

CAS NUMBER

34782-06-4

NORMAN SUSDAT

PubChem

577606

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-CHLOROPROPYL)PIPERAZINE DIHYDROCHLORIDE MONOHYDRATE

Structure

Physicochemical Descriptors

Cross References