EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	WF8WX7G0SR
EPA CompTox	DTXSID0066539

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

WF8WX7G0SR

EPA CompTox

DTXSID0066539


InChI Key	LUYLEMZRJQTGPM-UHFFFAOYSA-N
Smiles	C1CC(CCN1)C(c1ccccc1)c1ccccc1
InChI	InChI=1S/C18H21N/c1-3-7-15(8-4-1)18(16-9-5-2-6-10-16)17-11-13-19-14-12-17/h1-10,17-19H,11-14H2

InChI Key

LUYLEMZRJQTGPM-UHFFFAOYSA-N

Smiles

C1CC(CCN1)C(c1ccccc1)c1ccccc1

InChI

InChI=1S/C18H21N/c1-3-7-15(8-4-1)18(16-9-5-2-6-10-16)17-11-13-19-14-12-17/h1-10,17-19H,11-14H2

Property Name	Value
Molecular Formula	C18H21N1
Molecular Weight	251.17
AlogP	3.82
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	3.0
Polar Surface Area	12.03
Heavy Atoms	19.0

Property Name

Value

Molecular Formula

C18H21N1

Molecular Weight

251.17

AlogP

3.82

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

3.0

Polar Surface Area

12.03

Heavy Atoms

19.0

Resources	Reference
CAS NUMBER	19841-73-7
NORMAN SUSDAT
FDA SRS	WF8WX7G0SR
PubChem	88278
ChemSpider	79638.0

Resources

Reference

CAS NUMBER

19841-73-7

NORMAN SUSDAT

FDA SRS

WF8WX7G0SR

PubChem

88278

ChemSpider

79638.0

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

PIPERIDINE, 4-(DIPHENYLMETHYL)-

Structure

Physicochemical Descriptors

Cross References