N-methyl-1-(5-piperazin-1-yl-2-pyridinyl)ethenamine

C12H18N4 — CID 169189713

IUPACN-methyl-1-(5-piperazin-1-yl-2-pyridinyl)ethenamine
SMILESC=C(NC)c1ccc(N2CCNCC2)cn1
InChIInChI=1S/C12H18N4/c1-10(13-2)12-4-3-11(9-15-12)16-7-5-14-6-8-16/h3-4,9,13-14H,1,5-8H2,2H3
InChIKeyWPAAYKDBDLIGHM-UHFFFAOYSA-N
MW218.30 g/mol
LogP0.68
Rot. Bonds3

About N-methyl-1-(5-piperazin-1-yl-2-pyridinyl)ethenamine

N-methyl-1-(5-piperazin-1-yl-2-pyridinyl)ethenamine (PubChem CID 169189713) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is N-methyl-1-(5-piperazin-1-yl-2-pyridinyl)ethenamine.

Molecular Properties

Compound NameN-methyl-1-(5-piperazin-1-yl-2-pyridinyl)ethenamine
PubChem CID169189713
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC NameN-methyl-1-(5-piperazin-1-yl-2-pyridinyl)ethenamine
SMILESC=C(NC)c1ccc(N2CCNCC2)cn1
InChIInChI=1S/C12H18N4/c1-10(13-2)12-4-3-11(9-15-12)16-7-5-14-6-8-16/h3-4,9,13-14H,1,5-8H2,2H3
InChIKeyWPAAYKDBDLIGHM-UHFFFAOYSA-N
XLogP0.68
TPSA40.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-piperazin-1-yl-2-pyridinyl)ethanone
CID 79020099
N-ethyl-5-piperazin-1-ylpyridine-2-carboxamide
CID 155586911
N-[(2R)-1-hydroxypropan-2-yl]-5-piperazin-1-ylpyridine-2-carboxamide
CID 166082435
N-(2-methoxyethyl)-5-piperazin-1-ylpyridine-2-carboxamide
CID 166082465
N,N-dimethyl-5-piperazin-1-ylpyridin-2-amine
CID 152925430
5-[3-(hydroxymethyl)piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 167179178
N-[(3S)-2-oxopiperidin-3-yl]-5-piperazin-1-ylpyridine-2-carboxamide
CID 171564714
1-(6-pyrrolidin-1-yl-3-pyridinyl)piperazine
CID 163230421
1-methyl-N-(5-piperazin-1-yl-2-pyridinyl)cyclopropane-1-carboxamide;hydrochloride
CID 119494178
N-methyl-5-(1,2,3,7-tetrahydro-1,4-diazepin-4-yl)pyridine-2-carboxamide
CID 176964530
1-(6-bromo-3-pyridinyl)-1,4-diazepane
CID 10131290
1-(6-fluoro-3-pyridinyl)-1,4-diazepane
CID 45116239

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(5-piperazin-1-yl-2-pyridinyl)ethenamine?
The IUPAC name of N-methyl-1-(5-piperazin-1-yl-2-pyridinyl)ethenamine (CID 169189713) is N-methyl-1-(5-piperazin-1-yl-2-pyridinyl)ethenamine.
What is the SMILES notation for N-methyl-1-(5-piperazin-1-yl-2-pyridinyl)ethenamine?
The canonical SMILES for N-methyl-1-(5-piperazin-1-yl-2-pyridinyl)ethenamine is C=C(NC)c1ccc(N2CCNCC2)cn1.
What is the InChIKey of N-methyl-1-(5-piperazin-1-yl-2-pyridinyl)ethenamine?
The InChIKey is WPAAYKDBDLIGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-10(13-2)12-4-3-11(9-15-12)16-7-5-14-6-8-16/h3-4,9,13-14H,1,5-8H2,2H3.
What are the key properties of N-methyl-1-(5-piperazin-1-yl-2-pyridinyl)ethenamine?
N-methyl-1-(5-piperazin-1-yl-2-pyridinyl)ethenamine has a molecular weight of 218.30 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(5-piperazin-1-yl-2-pyridinyl)ethenamine is sourced from PubChem (CID 169189713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).