EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	D3GN362EFN
EPA CompTox	DTXSID10191079

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

D3GN362EFN

EPA CompTox

DTXSID10191079


InChI Key	MOVXNHXUSMSOGD-UHFFFAOYSA-N
Smiles	CCOC(=O)N1CCC(CC1)Nc1ccc(Cl)cc1
InChI	InChI=1S/C14H19ClN2O2/c1-2-19-14(18)17-9-7-13(8-10-17)16-12-5-3-11(15)4-6-12/h3-6,13,16H,2,7-10H2,1H3

InChI Key

MOVXNHXUSMSOGD-UHFFFAOYSA-N

Smiles

CCOC(=O)N1CCC(CC1)Nc1ccc(Cl)cc1

InChI

InChI=1S/C14H19ClN2O2/c1-2-19-14(18)17-9-7-13(8-10-17)16-12-5-3-11(15)4-6-12/h3-6,13,16H,2,7-10H2,1H3

Property Name	Value
Molecular Formula	C14H19Cl1N2O2
Molecular Weight	282.11
AlogP	3.37
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	3.0
Polar Surface Area	41.57
Heavy Atoms	19.0

Property Name

Value

Molecular Formula

C14H19Cl1N2O2

Molecular Weight

282.11

AlogP

3.37

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

3.0

Polar Surface Area

41.57

Heavy Atoms

19.0

Resources	Reference
CAS NUMBER	37656-66-9
NORMAN SUSDAT
FDA SRS	D3GN362EFN
PubChem	2846949
ChemSpider	2123386.0

Resources

Reference

CAS NUMBER

37656-66-9

NORMAN SUSDAT

FDA SRS

D3GN362EFN

PubChem

2846949

ChemSpider

2123386.0

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

ETHYL 4-((4-CHLOROPHENYL)AMINO)PIPERIDINE-1-CARBOXYLATE

Structure

Physicochemical Descriptors

Cross References