EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	CQ9ROS690X
EPA CompTox	DTXSID40177624

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

CQ9ROS690X

EPA CompTox

DTXSID40177624


InChI Key	LKRMTUUCKBQGFO-UHFFFAOYSA-N
Smiles	C1CC(CCN1)Nc1ccccc1
InChI	InChI=1S/C11H16N2/c1-2-4-10(5-3-1)13-11-6-8-12-9-7-11/h1-5,11-13H,6-9H2

InChI Key

LKRMTUUCKBQGFO-UHFFFAOYSA-N

Smiles

C1CC(CCN1)Nc1ccccc1

InChI

InChI=1S/C11H16N2/c1-2-4-10(5-3-1)13-11-6-8-12-9-7-11/h1-5,11-13H,6-9H2

Property Name	Value
Molecular Formula	C11H16N2
Molecular Weight	176.13
AlogP	1.85
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	2.0
Polar Surface Area	24.06
Heavy Atoms	13.0

Property Name

Value

Molecular Formula

C11H16N2

Molecular Weight

176.13

AlogP

1.85

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

2.0

Polar Surface Area

24.06

Heavy Atoms

13.0

Resources	Reference
CAS NUMBER	23056-29-3
NORMAN SUSDAT
FDA SRS	CQ9ROS690X
PubChem	89982
ChemSpider	81229.0

Resources

Reference

CAS NUMBER

23056-29-3

NORMAN SUSDAT

FDA SRS

CQ9ROS690X

PubChem

89982

ChemSpider

81229.0

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

4-ANILINOPIPERIDINE

Structure

Physicochemical Descriptors

Cross References