1-[3-methyl-6-[4-(2-methylpropyl)piperidin-1-yl]-2,3-dihydropyridin-4-yl]ethenamine

C17H29N3 — CID 142583906

IUPAC1-[3-methyl-6-[4-(2-methylpropyl)piperidin-1-yl]-2,3-dihydropyridin-4-yl]ethenamine
SMILESC=C(N)C1=CC(N2CCC(CC(C)C)CC2)=NCC1C
InChIInChI=1S/C17H29N3/c1-12(2)9-15-5-7-20(8-6-15)17-10-16(14(4)18)13(3)11-19-17/h10,12-13,15H,4-9,11,18H2,1-3H3
InChIKeyHPIYMMAPPRLJDH-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.19
Rot. Bonds3

About 1-[3-methyl-6-[4-(2-methylpropyl)piperidin-1-yl]-2,3-dihydropyridin-4-yl]ethenamine

1-[3-methyl-6-[4-(2-methylpropyl)piperidin-1-yl]-2,3-dihydropyridin-4-yl]ethenamine (PubChem CID 142583906) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 1-[3-methyl-6-[4-(2-methylpropyl)piperidin-1-yl]-2,3-dihydropyridin-4-yl]ethenamine.

Molecular Properties

Compound Name1-[3-methyl-6-[4-(2-methylpropyl)piperidin-1-yl]-2,3-dihydropyridin-4-yl]ethenamine
PubChem CID142583906
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name1-[3-methyl-6-[4-(2-methylpropyl)piperidin-1-yl]-2,3-dihydropyridin-4-yl]ethenamine
SMILESC=C(N)C1=CC(N2CCC(CC(C)C)CC2)=NCC1C
InChIInChI=1S/C17H29N3/c1-12(2)9-15-5-7-20(8-6-15)17-10-16(14(4)18)13(3)11-19-17/h10,12-13,15H,4-9,11,18H2,1-3H3
InChIKeyHPIYMMAPPRLJDH-UHFFFAOYSA-N
XLogP3.19
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-buta-1,3-dien-2-yl-1-methyl-3-[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]piperidin-2-imine;ethane
CID 143949812
(Z)-[(2E)-1-[N-but-1-en-2-yl-C-[(E)-1-fluoroprop-1-enyl]carbonimidoyl]-2-(3-methylbutylidene)-4-piperidin-4-ylpyrrol-3-ylidene]methanamine
CID 146504423
N-buta-1,3-dien-2-yl-1-methyl-3-[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]piperidin-2-imine
CID 143949813
(2E,4E)-6-methyl-5-[C-(4-methylpiperidin-1-yl)-N-prop-1-en-2-ylcarbonimidoyl]-N,N-dipropylhepta-2,4,6-trien-3-amine
CID 118617834
4-Methyl-5-piperidin-4-yl-1-prop-1-en-2-ylpyridin-2-imine
CID 123256021
1-But-1-en-2-yl-5-piperidin-4-ylpyridin-2-imine
CID 123286517
4-methyl-1-(5-methylhexyl)-8H-pyrido[2,3-b]azepin-5-imine
CID 123307248
8-Butyl-6-(4-ethylhept-1-en-2-yl)-2-(4-methylcyclohexa-1,3-dien-1-yl)-4-methylidene-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 130183252
5-ethenyl-6-methylidene-2-(1-methylpiperidin-4-yl)-4-prop-1-en-2-yl-1H-pyrimidine
CID 142187236
4-(1-aminoethenyl)-N,3-dimethyl-N-(1-methylpiperidin-4-yl)-2,3-dihydropyridin-6-amine;molecular hydrogen
CID 142583556
Methane;1-[3-methyl-6-[4-(2-methylpropyl)piperidin-1-yl]-2,3-dihydropyridin-4-yl]ethenamine;molecular hydrogen
CID 142583905
1,6-Dimethyl-2-[(4-methylidenepiperidin-1-yl)methyl]-5,6-dihydrobenzimidazole
CID 143552600

Frequently Asked Questions

What is the IUPAC name of 1-[3-methyl-6-[4-(2-methylpropyl)piperidin-1-yl]-2,3-dihydropyridin-4-yl]ethenamine?
The IUPAC name of 1-[3-methyl-6-[4-(2-methylpropyl)piperidin-1-yl]-2,3-dihydropyridin-4-yl]ethenamine (CID 142583906) is 1-[3-methyl-6-[4-(2-methylpropyl)piperidin-1-yl]-2,3-dihydropyridin-4-yl]ethenamine.
What is the SMILES notation for 1-[3-methyl-6-[4-(2-methylpropyl)piperidin-1-yl]-2,3-dihydropyridin-4-yl]ethenamine?
The canonical SMILES for 1-[3-methyl-6-[4-(2-methylpropyl)piperidin-1-yl]-2,3-dihydropyridin-4-yl]ethenamine is C=C(N)C1=CC(N2CCC(CC(C)C)CC2)=NCC1C.
What is the InChIKey of 1-[3-methyl-6-[4-(2-methylpropyl)piperidin-1-yl]-2,3-dihydropyridin-4-yl]ethenamine?
The InChIKey is HPIYMMAPPRLJDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-12(2)9-15-5-7-20(8-6-15)17-10-16(14(4)18)13(3)11-19-17/h10,12-13,15H,4-9,11,18H2,1-3H3.
What are the key properties of 1-[3-methyl-6-[4-(2-methylpropyl)piperidin-1-yl]-2,3-dihydropyridin-4-yl]ethenamine?
1-[3-methyl-6-[4-(2-methylpropyl)piperidin-1-yl]-2,3-dihydropyridin-4-yl]ethenamine has a molecular weight of 275.44 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methyl-6-[4-(2-methylpropyl)piperidin-1-yl]-2,3-dihydropyridin-4-yl]ethenamine is sourced from PubChem (CID 142583906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).