EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID90994368

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID90994368


InChI Key	XRYGCVVVDCEPRL-UHFFFAOYSA-N
Smiles	N(C)C1CCN(C)CC1
InChI	InChI=1/C7H16N2/c1-8-7-3-5-9(2)6-4-7/h7-8H,3-6H2,1-2H3

InChI Key

XRYGCVVVDCEPRL-UHFFFAOYSA-N

Smiles

N(C)C1CCN(C)CC1

InChI

InChI=1/C7H16N2/c1-8-7-3-5-9(2)6-4-7/h7-8H,3-6H2,1-2H3

Property Name	Value
Molecular Formula	C7H16N2
Molecular Weight	128.13
AlogP	0.3
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	1.0
Polar Surface Area	15.27
Heavy Atoms	9.0

Property Name

Value

Molecular Formula

C7H16N2

Molecular Weight

128.13

AlogP

0.3

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

1.0

Polar Surface Area

15.27

Heavy Atoms

9.0

Resources	Reference
CAS NUMBER	73579-08-5
NORMAN SUSDAT
PubChem	566323

Resources

Reference

CAS NUMBER

73579-08-5

NORMAN SUSDAT

PubChem

566323

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-METHYL-4-(METHYLAMINO)PIPERIDINE

Structure

Physicochemical Descriptors

Cross References