EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	L6Y54WE9R8
EPA CompTox	DTXSID40197443

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

L6Y54WE9R8

EPA CompTox

DTXSID40197443


InChI Key	PENRYFPQHOTBJV-UHFFFAOYSA-N
Smiles	C(CN1CCOCC1)CN1CCOCC1
InChI	InChI=1S/C11H22N2O2/c1(2-12-4-8-14-9-5-12)3-13-6-10-15-11-7-13/h1-11H2

InChI Key

PENRYFPQHOTBJV-UHFFFAOYSA-N

Smiles

C(CN1CCOCC1)CN1CCOCC1

InChI

InChI=1S/C11H22N2O2/c1(2-12-4-8-14-9-5-12)3-13-6-10-15-11-7-13/h1-11H2

Property Name	Value
Molecular Formula	C11H22N2O2
Molecular Weight	214.17
AlogP	0.04
Hydrogen Bond Acceptor	4.0
Number of Rotational Bond	4.0
Polar Surface Area	24.94
Heavy Atoms	15.0

Property Name

Value

Molecular Formula

C11H22N2O2

Molecular Weight

214.17

AlogP

0.04

Hydrogen Bond Acceptor

4.0

Number of Rotational Bond

4.0

Polar Surface Area

24.94

Heavy Atoms

15.0

Resources	Reference
CAS NUMBER	48152-09-6
NORMAN SUSDAT
FDA SRS	L6Y54WE9R8
PubChem	95009
ChemSpider	85727.0

Resources

Reference

CAS NUMBER

48152-09-6

NORMAN SUSDAT

FDA SRS

L6Y54WE9R8

PubChem

95009

ChemSpider

85727.0

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

4,4'-(PROPANE-1,3-DIYL)BISMORPHOLINE

Structure

Physicochemical Descriptors

Cross References