EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	7FTW970M7K
EPA CompTox	DTXSID80151125

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

7FTW970M7K

EPA CompTox

DTXSID80151125


InChI Key	FSXGJIFBTBJMHV-UHFFFAOYSA-N
Smiles	C(N1CCC(CC1)Nc1ccccc1)c1ccccc1
InChI	InChI=1S/C18H22N2/c1-3-7-16(8-4-1)15-20-13-11-18(12-14-20)19-17-9-5-2-6-10-17/h1-10,18-19H,11-15H2

InChI Key

FSXGJIFBTBJMHV-UHFFFAOYSA-N

Smiles

C(N1CCC(CC1)Nc1ccccc1)c1ccccc1

InChI

InChI=1S/C18H22N2/c1-3-7-16(8-4-1)15-20-13-11-18(12-14-20)19-17-9-5-2-6-10-17/h1-10,18-19H,11-15H2

Property Name	Value
Molecular Formula	C18H22N2
Molecular Weight	266.18
AlogP	3.76
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	4.0
Polar Surface Area	15.27
Heavy Atoms	20.0

Property Name

Value

Molecular Formula

C18H22N2

Molecular Weight

266.18

AlogP

3.76

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

4.0

Polar Surface Area

15.27

Heavy Atoms

20.0

Resources	Reference
CAS NUMBER	1155-56-2
NORMAN SUSDAT
FDA SRS	7FTW970M7K
PubChem	70865
ChemSpider	64028.0

Resources

Reference

CAS NUMBER

1155-56-2

NORMAN SUSDAT

FDA SRS

7FTW970M7K

PubChem

70865

ChemSpider

64028.0

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

N-PHENYL-1-(PHENYLMETHYL)-4-PIPERIDINAMINE

Structure

Physicochemical Descriptors

Cross References