EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Salt-form
UNII	PL2KQR3JRQ
EPA CompTox	DTXSID20232821

Keyword(s):

Human Metabolites

Molecule Category

Salt-form

UNII

PL2KQR3JRQ

EPA CompTox

DTXSID20232821


InChI Key	HFRVRAMDPDHUSH-UHFFFAOYSA-N
Smiles	Cl.O=C(C)CC1CCNCC1
InChI	InChI=1/C8H15NO.ClH/c1-7(10)6-8-2-4-9-5-3-8;/h8-9H,2-6H2,1H3;1H

InChI Key

HFRVRAMDPDHUSH-UHFFFAOYSA-N

Smiles

Cl.O=C(C)CC1CCNCC1

InChI

InChI=1/C8H15NO.ClH/c1-7(10)6-8-2-4-9-5-3-8;/h8-9H,2-6H2,1H3;1H

Property Name	Value
Molecular Formula	C8H15NO
Molecular Weight	177.09
AlogP	1.39
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	2.0
Polar Surface Area	29.1
Heavy Atoms	11.0

Property Name

Value

Molecular Formula

C8H15NO

Molecular Weight

177.09

AlogP

1.39

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

2.0

Polar Surface Area

29.1

Heavy Atoms

11.0

Resources	Reference
CAS NUMBER	83929-53-7
NORMAN SUSDAT
FDA SRS	PL2KQR3JRQ
PubChem	3019491

Resources

Reference

CAS NUMBER

83929-53-7

NORMAN SUSDAT

FDA SRS

PL2KQR3JRQ

PubChem

3019491

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-(4-PIPERIDYL)ACETONE HYDROCHLORIDE

Structure

Physicochemical Descriptors

Cross References