EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID00175929

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID00175929


InChI Key	BNYKNAMROLCQRS-UHFFFAOYSA-N
Smiles	CN1CCN(CC(O)(c2ccccc2)c2ccccc2)CC1
InChI	InChI=1S/C19H24N2O/c1-20-12-14-21(15-13-20)16-19(22,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,22H,12-16H2,1H3

InChI Key

BNYKNAMROLCQRS-UHFFFAOYSA-N

Smiles

CN1CCN(CC(O)(c2ccccc2)c2ccccc2)CC1

InChI

InChI=1S/C19H24N2O/c1-20-12-14-21(15-13-20)16-19(22,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,22H,12-16H2,1H3

Property Name	Value
Molecular Formula	C19H24N2O1
Molecular Weight	296.19
AlogP	2.17
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	4.0
Polar Surface Area	26.71
Heavy Atoms	22.0

Property Name

Value

Molecular Formula

C19H24N2O1

Molecular Weight

296.19

AlogP

2.17

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

4.0

Polar Surface Area

26.71

Heavy Atoms

22.0

Resources	Reference
CAS NUMBER	21579-78-2
NORMAN SUSDAT
PubChem	88951
ChemSpider	80263.0

Resources

Reference

CAS NUMBER

21579-78-2

NORMAN SUSDAT

PubChem

88951

ChemSpider

80263.0

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-PIPERAZINEETHANOL, ALPHA,ALPHA-DIPHENYL-4-METHYL-

Structure

Physicochemical Descriptors

Cross References