1-(2,3-dihydropyridin-6-ylmethyl)-4-propan-2-ylpiperazine

C13H23N3 — CID 178008658

IUPAC1-(2,3-dihydropyridin-6-ylmethyl)-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(CC2=NCCC=C2)CC1
InChIInChI=1S/C13H23N3/c1-12(2)16-9-7-15(8-10-16)11-13-5-3-4-6-14-13/h3,5,12H,4,6-11H2,1-2H3
InChIKeyJSSICSYFWWCWJJ-UHFFFAOYSA-N
MW221.35 g/mol
LogP1.41
Rot. Bonds3

About 1-(2,3-dihydropyridin-6-ylmethyl)-4-propan-2-ylpiperazine

1-(2,3-dihydropyridin-6-ylmethyl)-4-propan-2-ylpiperazine (PubChem CID 178008658) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 1-(2,3-dihydropyridin-6-ylmethyl)-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-(2,3-dihydropyridin-6-ylmethyl)-4-propan-2-ylpiperazine
PubChem CID178008658
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name1-(2,3-dihydropyridin-6-ylmethyl)-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(CC2=NCCC=C2)CC1
InChIInChI=1S/C13H23N3/c1-12(2)16-9-7-15(8-10-16)11-13-5-3-4-6-14-13/h3,5,12H,4,6-11H2,1-2H3
InChIKeyJSSICSYFWWCWJJ-UHFFFAOYSA-N
XLogP1.41
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydropyridin-2-yl)-N-(2,3-dihydropyridin-6-ylmethyl)-N-methylmethanamine
CID 70912867
(2,6-Dimethyl-2,3-dihydropyridin-3-yl)-trimethylazanium
CID 123346098
(4Z)-6-(4-methylpiperazin-1-yl)hepta-1,4-dien-3-imine
CID 123359389
5-(4-Methylpiperazin-1-yl)cyclohex-2-en-1-imine
CID 123715700
4-(4-Methylpiperazin-1-yl)cyclohepta-2,6-dien-1-imine
CID 123966950
(2S,5R)-2,5-dimethyl-1-[(E)-pent-3-enyl]-4-propan-2-ylpiperazine
CID 126576933
7-[(4-methylpiperazin-1-yl)methyl]-4H-azepine
CID 142101492
N,N-dimethyl-1-(6-methyl-2,3-dihydropyridin-2-yl)methanamine
CID 142142768
(Z)-N-ethyl-1-(4-methylpiperazin-1-yl)pent-3-en-2-imine
CID 142404141
(Z)-N-methyl-1-(4-methylpiperazin-1-yl)hex-3-en-2-imine
CID 143130114
ethane;(Z)-N-[2-(4-methylpiperazin-1-yl)ethyl]pent-2-en-1-imine
CID 144144771
(Z)-N-methyl-4-(4-methylpiperazin-1-yl)pent-2-enimidoyl cyanide
CID 144217367

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydropyridin-6-ylmethyl)-4-propan-2-ylpiperazine?
The IUPAC name of 1-(2,3-dihydropyridin-6-ylmethyl)-4-propan-2-ylpiperazine (CID 178008658) is 1-(2,3-dihydropyridin-6-ylmethyl)-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-(2,3-dihydropyridin-6-ylmethyl)-4-propan-2-ylpiperazine?
The canonical SMILES for 1-(2,3-dihydropyridin-6-ylmethyl)-4-propan-2-ylpiperazine is CC(C)N1CCN(CC2=NCCC=C2)CC1.
What is the InChIKey of 1-(2,3-dihydropyridin-6-ylmethyl)-4-propan-2-ylpiperazine?
The InChIKey is JSSICSYFWWCWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-12(2)16-9-7-15(8-10-16)11-13-5-3-4-6-14-13/h3,5,12H,4,6-11H2,1-2H3.
What are the key properties of 1-(2,3-dihydropyridin-6-ylmethyl)-4-propan-2-ylpiperazine?
1-(2,3-dihydropyridin-6-ylmethyl)-4-propan-2-ylpiperazine has a molecular weight of 221.35 g/mol, XLogP of 1.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydropyridin-6-ylmethyl)-4-propan-2-ylpiperazine is sourced from PubChem (CID 178008658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).