2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-propan-2-ylcyclohexan-1-ol

C17H32N2O — CID 79934726

IUPAC2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-propan-2-ylcyclohexan-1-ol
SMILESCC(C)C1CCC(O)C(N2CCN3CCCCC3C2)C1
InChIInChI=1S/C17H32N2O/c1-13(2)14-6-7-17(20)16(11-14)19-10-9-18-8-4-3-5-15(18)12-19/h13-17,20H,3-12H2,1-2H3
InChIKeyDBNYYYJTCVQXHV-UHFFFAOYSA-N
MW280.46 g/mol
LogP2.34
Rot. Bonds2

About 2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-propan-2-ylcyclohexan-1-ol

2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-propan-2-ylcyclohexan-1-ol (PubChem CID 79934726) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-propan-2-ylcyclohexan-1-ol
PubChem CID79934726
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-propan-2-ylcyclohexan-1-ol
SMILESCC(C)C1CCC(O)C(N2CCN3CCCCC3C2)C1
InChIInChI=1S/C17H32N2O/c1-13(2)14-6-7-17(20)16(11-14)19-10-9-18-8-4-3-5-15(18)12-19/h13-17,20H,3-12H2,1-2H3
InChIKeyDBNYYYJTCVQXHV-UHFFFAOYSA-N
XLogP2.34
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-cyclopentylpiperazin-1-yl)-4-propan-2-ylcyclohexan-1-ol
CID 62708468
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-propan-2-ylcyclohexan-1-amine
CID 79938659
2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-4-propan-2-ylcyclohexan-1-ol
CID 79174564
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-ethylcyclohexan-1-ol
CID 79935309
2-(3-methylpyrrolidin-1-yl)-4-propan-2-ylcyclohexan-1-ol
CID 62707731
2-(4,4-dimethylazepan-1-yl)-4-propan-2-ylcyclohexan-1-ol
CID 65281648
2-(4-tert-butylpiperazin-1-yl)-4-propan-2-ylcyclohexan-1-ol
CID 62704133
2-(4,4-dimethylpiperidin-1-yl)-4-propan-2-ylcyclohexan-1-ol
CID 62931964
2-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79914133
2-propan-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 59036114
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)cyclopentan-1-ol
CID 63151120
5-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2,2-dimethylcyclopentan-1-ol
CID 79935392

Frequently Asked Questions

What is the IUPAC name of 2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-propan-2-ylcyclohexan-1-ol?
The IUPAC name of 2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-propan-2-ylcyclohexan-1-ol (CID 79934726) is 2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for 2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for 2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-propan-2-ylcyclohexan-1-ol is CC(C)C1CCC(O)C(N2CCN3CCCCC3C2)C1.
What is the InChIKey of 2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-propan-2-ylcyclohexan-1-ol?
The InChIKey is DBNYYYJTCVQXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-13(2)14-6-7-17(20)16(11-14)19-10-9-18-8-4-3-5-15(18)12-19/h13-17,20H,3-12H2,1-2H3.
What are the key properties of 2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-propan-2-ylcyclohexan-1-ol?
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-propan-2-ylcyclohexan-1-ol has a molecular weight of 280.46 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 79934726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).