EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	72RZF4ED6F
EPA CompTox	DTXSID10208237

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

72RZF4ED6F

EPA CompTox

DTXSID10208237


InChI Key	GRKACIXCRNRVBC-UHFFFAOYSA-N
Smiles	C(Cc1ncccc1)N1CCOCC1
InChI	InChI=1S/C11H16N2O/c1-2-5-12-11(3-1)4-6-13-7-9-14-10-8-13/h1-3,5H,4,6-10H2

InChI Key

GRKACIXCRNRVBC-UHFFFAOYSA-N

Smiles

C(Cc1ncccc1)N1CCOCC1

InChI

InChI=1S/C11H16N2O/c1-2-5-12-11(3-1)4-6-13-7-9-14-10-8-13/h1-3,5H,4,6-10H2

Property Name	Value
Molecular Formula	C11H16N2O1
Molecular Weight	192.13
AlogP	0.96
Hydrogen Bond Acceptor	3.0
Number of Rotational Bond	3.0
Polar Surface Area	25.36
Heavy Atoms	14.0

Property Name

Value

Molecular Formula

C11H16N2O1

Molecular Weight

192.13

AlogP

0.96

Hydrogen Bond Acceptor

3.0

Number of Rotational Bond

3.0

Polar Surface Area

25.36

Heavy Atoms

14.0

Resources	Reference
CAS NUMBER	59566-50-6
NORMAN SUSDAT
FDA SRS	72RZF4ED6F
PubChem	95909
ChemSpider	86583.0

Resources

Reference

CAS NUMBER

59566-50-6

NORMAN SUSDAT

FDA SRS

72RZF4ED6F

PubChem

95909

ChemSpider

86583.0

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-(2-(2-PYRIDYL)ETHYL)MORPHOLINE

Structure

Physicochemical Descriptors

Cross References