4-propan-2-yl-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine

C11H22N2 — CID 82407469

IUPAC4-propan-2-yl-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine
SMILESCC(C)C1CNCC2CCCCN21
InChIInChI=1S/C11H22N2/c1-9(2)11-8-12-7-10-5-3-4-6-13(10)11/h9-12H,3-8H2,1-2H3
InChIKeyCQYQABCWTGYAEQ-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.47
Rot. Bonds1

About 4-propan-2-yl-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine

4-propan-2-yl-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine (PubChem CID 82407469) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 4-propan-2-yl-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine.

Molecular Properties

Compound Name4-propan-2-yl-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine
PubChem CID82407469
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name4-propan-2-yl-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine
SMILESCC(C)C1CNCC2CCCCN21
InChIInChI=1S/C11H22N2/c1-9(2)11-8-12-7-10-5-3-4-6-13(10)11/h9-12H,3-8H2,1-2H3
InChIKeyCQYQABCWTGYAEQ-UHFFFAOYSA-N
XLogP1.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-propan-2-yl-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cycloheptyl-2-propan-2-ylpiperazine
CID 64936518
1-cyclobutyl-2-propan-2-ylpiperidine
CID 130669810
1-cyclopentyl-2-propan-2-ylpyrrolidine
CID 91035341
1-(1-methylpiperidin-4-yl)-2-propan-2-ylpiperazine
CID 64937467
2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazin-4-ylmethanol
CID 84653848
1-cyclopentyl-5-methyl-2-propan-2-ylpiperazine
CID 64954285
1-cycloheptyl-2,5-di(propan-2-yl)piperazine
CID 64936529
1-(3,3-dimethylcyclopentyl)-2-propan-2-ylpiperazine
CID 114551197
9-methyl-3,9-diazabicyclo[3.3.1]nonane
CID 18911
3-(2-propan-2-ylpyrrolidin-1-yl)cyclohexan-1-one
CID 79619514
1,2-di(propan-2-yl)azocane
CID 134605032
4-cycloheptyl-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
CID 64934612

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine?
The IUPAC name of 4-propan-2-yl-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine (CID 82407469) is 4-propan-2-yl-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine.
What is the SMILES notation for 4-propan-2-yl-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine?
The canonical SMILES for 4-propan-2-yl-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine is CC(C)C1CNCC2CCCCN21.
What is the InChIKey of 4-propan-2-yl-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine?
The InChIKey is CQYQABCWTGYAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-9(2)11-8-12-7-10-5-3-4-6-13(10)11/h9-12H,3-8H2,1-2H3.
What are the key properties of 4-propan-2-yl-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine?
4-propan-2-yl-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine has a molecular weight of 182.31 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine is sourced from PubChem (CID 82407469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).