EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Salt-form
UNII	AHK6YP2A9P
EPA CompTox	DTXSID60237193

Keyword(s):

Human Metabolites

Molecule Category

Salt-form

UNII

AHK6YP2A9P

EPA CompTox

DTXSID60237193


InChI Key	XIROGEVVNHGHFZ-UHFFFAOYSA-N
Smiles	[Cl-].O=C(C=1C=CC=CC1)CC[NH+]2CCCCC2
InChI	InChI=1/C14H19NO.ClH/c16-14(13-7-3-1-4-8-13)9-12-15-10-5-2-6-11-15;/h1,3-4,7-8H,2,5-6,9-12H2;1H

InChI Key

XIROGEVVNHGHFZ-UHFFFAOYSA-N

Smiles

[Cl-].O=C(C=1C=CC=CC1)CC[NH+]2CCCCC2

InChI

InChI=1/C14H19NO.ClH/c16-14(13-7-3-1-4-8-13)9-12-15-10-5-2-6-11-15;/h1,3-4,7-8H,2,5-6,9-12H2;1H

Property Name	Value
Molecular Formula	C14H19NO
Molecular Weight	253.12
AlogP	3.17
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	4.0
Polar Surface Area	20.31
Heavy Atoms	17.0

Property Name

Value

Molecular Formula

C14H19NO

Molecular Weight

253.12

AlogP

3.17

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

4.0

Polar Surface Area

20.31

Heavy Atoms

17.0

Resources	Reference
CAS NUMBER	886-06-6
NORMAN SUSDAT
FDA SRS	AHK6YP2A9P
PubChem	70172

Resources

Reference

CAS NUMBER

886-06-6

NORMAN SUSDAT

FDA SRS

AHK6YP2A9P

PubChem

70172

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-(2-BENZOYLETHYL)PIPERIDINIUM CHLORIDE

Structure

Physicochemical Descriptors

Cross References