EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Salt-form
UNII	G4Y6EK6T5Q
EPA CompTox	DTXSID60199303

Keyword(s):

Human Metabolites

Molecule Category

Salt-form

UNII

G4Y6EK6T5Q

EPA CompTox

DTXSID60199303


InChI Key	CQPHZBOPSZGTJM-UHFFFAOYSA-N
Smiles	Cl.N#CC1(C=2C=CC=CC2)CCNCC1
InChI	InChI=1/C12H14N2.ClH/c13-10-12(6-8-14-9-7-12)11-4-2-1-3-5-11;/h1-5,14H,6-9H2;1H

InChI Key

CQPHZBOPSZGTJM-UHFFFAOYSA-N

Smiles

Cl.N#CC1(C=2C=CC=CC2)CCNCC1

InChI

InChI=1/C12H14N2.ClH/c13-10-12(6-8-14-9-7-12)11-4-2-1-3-5-11;/h1-5,14H,6-9H2;1H

Property Name	Value
Molecular Formula	C12H14N2
Molecular Weight	222.09
AlogP	2.25
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	1.0
Polar Surface Area	35.82
Heavy Atoms	15.0

Property Name

Value

Molecular Formula

C12H14N2

Molecular Weight

222.09

AlogP

2.25

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

1.0

Polar Surface Area

35.82

Heavy Atoms

15.0

Resources	Reference
CAS NUMBER	51304-58-6
NORMAN SUSDAT
FDA SRS	G4Y6EK6T5Q
PubChem	181138

Resources

Reference

CAS NUMBER

51304-58-6

NORMAN SUSDAT

FDA SRS

G4Y6EK6T5Q

PubChem

181138

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, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

4-PHENYLPIPERIDINE-4-CARBONITRILE HYDROCHLORIDE

Structure

Physicochemical Descriptors

Cross References