EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	ETD8M9Q9YK
EPA CompTox	DTXSID50163598

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

ETD8M9Q9YK

EPA CompTox

DTXSID50163598


InChI Key	KTRJPKYFFZFQJB-UHFFFAOYSA-N
Smiles	OCCN1CCC(CCCC2CCNCC2)CC1
InChI	InChI=1S/C15H30N2O/c18-13-12-17-10-6-15(7-11-17)3-1-2-14-4-8-16-9-5-14/h14-16,18H,1-13H2

InChI Key

KTRJPKYFFZFQJB-UHFFFAOYSA-N

Smiles

OCCN1CCC(CCCC2CCNCC2)CC1

InChI

InChI=1S/C15H30N2O/c18-13-12-17-10-6-15(7-11-17)3-1-2-14-4-8-16-9-5-14/h14-16,18H,1-13H2

Property Name	Value
Molecular Formula	C15H30N2O1
Molecular Weight	254.24
AlogP	1.86
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	6.0
Polar Surface Area	35.5
Heavy Atoms	18.0

Property Name

Value

Molecular Formula

C15H30N2O1

Molecular Weight

254.24

AlogP

1.86

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

6.0

Polar Surface Area

35.5

Heavy Atoms

18.0

Resources	Reference
CAS NUMBER	14712-23-3
NORMAN SUSDAT
FDA SRS	ETD8M9Q9YK
PubChem	84604
ChemSpider	76325.0

Resources

Reference

CAS NUMBER

14712-23-3

NORMAN SUSDAT

FDA SRS

ETD8M9Q9YK

PubChem

84604

ChemSpider

76325.0

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-(3-(4-PIPERIDYL)PROPYL)PIPERIDINE-1-ETHANOL

Structure

Physicochemical Descriptors

Cross References