1-(3,4-dihydropyridin-2-yl)-4-propan-2-ylpiperazine

C12H21N3 — CID 144662390

IUPAC1-(3,4-dihydropyridin-2-yl)-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(C2=NC=CCC2)CC1
InChIInChI=1S/C12H21N3/c1-11(2)14-7-9-15(10-8-14)12-5-3-4-6-13-12/h4,6,11H,3,5,7-10H2,1-2H3
InChIKeyYUOCWRJDLWLPIH-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.72
Rot. Bonds1

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

1-(3,4-dihydropyridin-2-yl)-4-propan-2-ylpiperazine (PubChem CID 144662390) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-(3,4-dihydropyridin-2-yl)-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-(3,4-dihydropyridin-2-yl)-4-propan-2-ylpiperazine
PubChem CID144662390
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name1-(3,4-dihydropyridin-2-yl)-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(C2=NC=CCC2)CC1
InChIInChI=1S/C12H21N3/c1-11(2)14-7-9-15(10-8-14)12-5-3-4-6-13-12/h4,6,11H,3,5,7-10H2,1-2H3
InChIKeyYUOCWRJDLWLPIH-UHFFFAOYSA-N
XLogP1.72
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-N-methyl-3,4-dihydropyridin-2-amine
CID 57112228
1-(3,4-Dihydropyridin-2-yl)-4-methylpiperazine
CID 57261291
1-propan-2-yl-4-(3H-pyrrol-2-yl)piperazine
CID 58142763
2-Methyl-2,3,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 123759322
2-Piperazin-1-yl-3,4-dihydropyridin-3-amine
CID 141875324
(5Z,7Z)-2-(4-methylpiperazin-1-yl)-3,4-dihydroazocine
CID 142128652
Ethane;4-methylidene-2-(4-methylpiperazin-1-yl)-3,5-dihydroazepine
CID 142128682
N-[(1Z)-buta-1,3-dienyl]-1-(4-methylpiperazin-1-yl)butan-1-imine
CID 142128721
N-[(1Z)-buta-1,3-dienyl]-1-(4-methylpiperazin-1-yl)propan-1-imine
CID 142129029
N,4-dimethyl-1-propan-2-yl-3,4-dihydropyridin-2-imine;ethane
CID 142616651
N,4-dimethyl-1-propan-2-yl-3,4-dihydropyridin-2-imine
CID 142616652
Ethane;9-methyl-1,7,9-triazatricyclo[6.3.1.04,12]dodeca-2,7-diene;molecular hydrogen
CID 143592930

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydropyridin-2-yl)-4-propan-2-ylpiperazine?
The IUPAC name of 1-(3,4-dihydropyridin-2-yl)-4-propan-2-ylpiperazine (CID 144662390) is 1-(3,4-dihydropyridin-2-yl)-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-(3,4-dihydropyridin-2-yl)-4-propan-2-ylpiperazine?
The canonical SMILES for 1-(3,4-dihydropyridin-2-yl)-4-propan-2-ylpiperazine is CC(C)N1CCN(C2=NC=CCC2)CC1.
What is the InChIKey of 1-(3,4-dihydropyridin-2-yl)-4-propan-2-ylpiperazine?
The InChIKey is YUOCWRJDLWLPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-11(2)14-7-9-15(10-8-14)12-5-3-4-6-13-12/h4,6,11H,3,5,7-10H2,1-2H3.
What are the key properties of 1-(3,4-dihydropyridin-2-yl)-4-propan-2-ylpiperazine?
1-(3,4-dihydropyridin-2-yl)-4-propan-2-ylpiperazine has a molecular weight of 207.32 g/mol, XLogP of 1.72, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydropyridin-2-yl)-4-propan-2-ylpiperazine is sourced from PubChem (CID 144662390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).