EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	4GD4YEE2WP
EPA CompTox	DTXSID90354100

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

4GD4YEE2WP

EPA CompTox

DTXSID90354100


InChI Key	MLJOKPBESJWYGL-UHFFFAOYSA-N
Smiles	CN1CCN(Cc2ccccc2)CC1
InChI	InChI=1S/C12H18N2/c1-13-7-9-14(10-8-13)11-12-5-3-2-4-6-12/h2-6H,7-11H2,1H3

InChI Key

MLJOKPBESJWYGL-UHFFFAOYSA-N

Smiles

CN1CCN(Cc2ccccc2)CC1

InChI

InChI=1S/C12H18N2/c1-13-7-9-14(10-8-13)11-12-5-3-2-4-6-12/h2-6H,7-11H2,1H3

Property Name	Value
Molecular Formula	C12H18N2
Molecular Weight	190.15
AlogP	1.43
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	2.0
Polar Surface Area	6.48
Heavy Atoms	14.0

Property Name

Value

Molecular Formula

C12H18N2

Molecular Weight

190.15

AlogP

1.43

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

2.0

Polar Surface Area

6.48

Heavy Atoms

14.0

Resources	Reference
CAS NUMBER	62226-74-8
NORMAN SUSDAT
FDA SRS	4GD4YEE2WP
PubChem	763557
ChemSpider	667589.0

Resources

Reference

CAS NUMBER

62226-74-8

NORMAN SUSDAT

FDA SRS

4GD4YEE2WP

PubChem

763557

ChemSpider

667589.0

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-METHYL-4-(PHENYLMETHYL)PIPERAZINE

Structure

Physicochemical Descriptors

Cross References