EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	6LCP52962G
EPA CompTox	DTXSID70166809

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

6LCP52962G

EPA CompTox

DTXSID70166809


InChI Key	PZIBVWUXWNYTNL-UHFFFAOYSA-N
Smiles	COc1cc(ccc1)N1CCNCC1
InChI	InChI=1S/C11H16N2O/c1-14-11-4-2-3-10(9-11)13-7-5-12-6-8-13/h2-4,9,12H,5-8H2,1H3

InChI Key

PZIBVWUXWNYTNL-UHFFFAOYSA-N

Smiles

COc1cc(ccc1)N1CCNCC1

InChI

InChI=1S/C11H16N2O/c1-14-11-4-2-3-10(9-11)13-7-5-12-6-8-13/h2-4,9,12H,5-8H2,1H3

Property Name	Value
Molecular Formula	C11H16N2O1
Molecular Weight	192.13
AlogP	1.1
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	2.0
Polar Surface Area	24.5
Heavy Atoms	14.0

Property Name

Value

Molecular Formula

C11H16N2O1

Molecular Weight

192.13

AlogP

1.1

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

2.0

Polar Surface Area

24.5

Heavy Atoms

14.0

Resources	Reference
CAS NUMBER	16015-71-7
NORMAN SUSDAT
FDA SRS	6LCP52962G
PubChem	81430
ChemSpider	6277.0

Resources

Reference

CAS NUMBER

16015-71-7

NORMAN SUSDAT

FDA SRS

6LCP52962G

PubChem

81430

ChemSpider

6277.0

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-(3-METHOXYPHENYL)PIPERAZINE

Structure

Physicochemical Descriptors

Cross References