EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	H8L8MM95Z3
EPA CompTox	DTXSID80234447

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

H8L8MM95Z3

EPA CompTox

DTXSID80234447


InChI Key	VIPMWEOMYMZBAQ-UHFFFAOYSA-N
Smiles	CN1CCC(CC1)c1ncccc1
InChI	InChI=1S/C11H16N2/c1-13-8-5-10(6-9-13)11-4-2-3-7-12-11/h2-4,7,10H,5-6,8-9H2,1H3

InChI Key

VIPMWEOMYMZBAQ-UHFFFAOYSA-N

Smiles

CN1CCC(CC1)c1ncccc1

InChI

InChI=1S/C11H16N2/c1-13-8-5-10(6-9-13)11-4-2-3-7-12-11/h2-4,7,10H,5-6,8-9H2,1H3

Property Name	Value
Molecular Formula	C11H16N2
Molecular Weight	176.13
AlogP	1.89
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	1.0
Polar Surface Area	16.13
Heavy Atoms	13.0

Property Name

Value

Molecular Formula

C11H16N2

Molecular Weight

176.13

AlogP

1.89

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

1.0

Polar Surface Area

16.13

Heavy Atoms

13.0

Resources	Reference
CAS NUMBER	85237-63-4
NORMAN SUSDAT
FDA SRS	H8L8MM95Z3
PubChem	3020566
ChemSpider	2287420.0

Resources

Reference

CAS NUMBER

85237-63-4

NORMAN SUSDAT

FDA SRS

H8L8MM95Z3

PubChem

3020566

ChemSpider

2287420.0

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...

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Last update: Monday, 3 November 2025

2-(1-METHYLPIPERIDIN-4-YL)PYRIDINE

Structure

Physicochemical Descriptors

Cross References