EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	R8ZH1EQ95Y
EPA CompTox	DTXSID10618291

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

R8ZH1EQ95Y

EPA CompTox

DTXSID10618291


InChI Key	WWDHLOLWLHHFBH-UHFFFAOYSA-N
Smiles	C1CN(CCC1NC2=CC=C(C=C2)F)CCC3=CC=CC=C3
InChI	InChI=1S/C19H23FN2/c20-17-6-8-18(9-7-17)21-19-11-14-22(15-12-19)13-10-16-4-2-1-3-5-16/h1-9,19,21H,10-15H2

InChI Key

WWDHLOLWLHHFBH-UHFFFAOYSA-N

Smiles

C1CN(CCC1NC2=CC=C(C=C2)F)CCC3=CC=CC=C3

InChI

InChI=1S/C19H23FN2/c20-17-6-8-18(9-7-17)21-19-11-14-22(15-12-19)13-10-16-4-2-1-3-5-16/h1-9,19,21H,10-15H2

Property Name	Value
Molecular Formula	C19H23F1N2
Molecular Weight	298.18
AlogP	3.94
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	5.0
Polar Surface Area	15.27
Heavy Atoms	22.0

Property Name

Value

Molecular Formula

C19H23F1N2

Molecular Weight

298.18

AlogP

3.94

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

5.0

Polar Surface Area

15.27

Heavy Atoms

22.0

Resources	Reference
CAS NUMBER	122861-41-0
NORMAN SUSDAT
FDA SRS	R8ZH1EQ95Y
PubChem	21812144
ChemSpider	10551386.0

Resources

Reference

CAS NUMBER

122861-41-0

NORMAN SUSDAT

FDA SRS

R8ZH1EQ95Y

PubChem

21812144

ChemSpider

10551386.0

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, 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

N-(4-FLUOROPHENYL)-1-(2-PHENYLETHYL)PIPERIDIN-4-AMINE

Structure

Physicochemical Descriptors

Cross References