EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID6066315

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID6066315


InChI Key	CUFGCSGPBRYOBH-UHFFFAOYSA-N
Smiles	N#CCCN1CCC(CCCC2CCN(CCC#N)CC2)CC1
InChI	InChI=1S/C19H32N4/c20-10-2-12-22-14-6-18(7-15-22)4-1-5-19-8-16-23(17-9-19)13-3-11-21/h18-19H,1-9,12-17H2

InChI Key

CUFGCSGPBRYOBH-UHFFFAOYSA-N

Smiles

N#CCCN1CCC(CCCC2CCN(CCC#N)CC2)CC1

InChI

InChI=1S/C19H32N4/c20-10-2-12-22-14-6-18(7-15-22)4-1-5-19-8-16-23(17-9-19)13-3-11-21/h18-19H,1-9,12-17H2

Property Name	Value
Molecular Formula	C19H32N4
Molecular Weight	316.26
AlogP	3.41
Hydrogen Bond Acceptor	4.0
Number of Rotational Bond	8.0
Polar Surface Area	54.06
Heavy Atoms	23.0

Property Name

Value

Molecular Formula

C19H32N4

Molecular Weight

316.26

AlogP

3.41

Hydrogen Bond Acceptor

4.0

Number of Rotational Bond

8.0

Polar Surface Area

54.06

Heavy Atoms

23.0

Resources	Reference
CAS NUMBER	18136-00-0
NORMAN SUSDAT
PubChem	87465
ChemSpider	78898.0

Resources

Reference

CAS NUMBER

18136-00-0

NORMAN SUSDAT

PubChem

87465

ChemSpider

78898.0

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

1-PIPERIDINEPROPANENITRILE, 4,4'-(1,3-PROPANEDIYL)BIS-

Structure

Physicochemical Descriptors

Cross References