2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)-4-methylcyclohexan-1-ol

C16H30N2O — CID 79925117

IUPAC2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)-4-methylcyclohexan-1-ol
SMILESCC1CCC(O)C(CN2CCN3CCCCC3C2)C1
InChIInChI=1S/C16H30N2O/c1-13-5-6-16(19)14(10-13)11-17-8-9-18-7-3-2-4-15(18)12-17/h13-16,19H,2-12H2,1H3
InChIKeyZAMCQAXTQPMDML-UHFFFAOYSA-N
MW266.43 g/mol
LogP1.95
Rot. Bonds2

About 2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)-4-methylcyclohexan-1-ol

2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)-4-methylcyclohexan-1-ol (PubChem CID 79925117) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)-4-methylcyclohexan-1-ol.

Molecular Properties

Compound Name2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)-4-methylcyclohexan-1-ol
PubChem CID79925117
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)-4-methylcyclohexan-1-ol
SMILESCC1CCC(O)C(CN2CCN3CCCCC3C2)C1
InChIInChI=1S/C16H30N2O/c1-13-5-6-16(19)14(10-13)11-17-8-9-18-7-3-2-4-15(18)12-17/h13-16,19H,2-12H2,1H3
InChIKeyZAMCQAXTQPMDML-UHFFFAOYSA-N
XLogP1.95
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)-4-methylcyclohexan-1-ol with MolForge

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Related Compounds

4-methyl-2-[(4-piperidin-1-ylpiperidin-1-yl)methyl]cyclohexan-1-ol
CID 62609383
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)-N,4-dimethylcyclohexan-1-amine
CID 79924586
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)cyclopentan-1-ol
CID 79925411
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)cycloheptan-1-amine
CID 79924657
2-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]cyclopentan-1-ol
CID 63169189
4-methyl-2-[(3-propoxypiperidin-1-yl)methyl]cyclohexan-1-ol
CID 55094581
2-[(4-ethylcyclohexyl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79930234
2-(cyclopentylmethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79038048
(2S)-1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)propan-2-ol
CID 103935255
4-methyl-2-[(2,2,6-trimethylmorpholin-4-yl)methyl]cyclohexan-1-ol
CID 62610121
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-N-propylcyclohexan-1-amine
CID 79945526
2-(2-methylprop-2-enyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 115674890

Frequently Asked Questions

What is the IUPAC name of 2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)-4-methylcyclohexan-1-ol?
The IUPAC name of 2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)-4-methylcyclohexan-1-ol (CID 79925117) is 2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)-4-methylcyclohexan-1-ol.
What is the SMILES notation for 2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)-4-methylcyclohexan-1-ol?
The canonical SMILES for 2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)-4-methylcyclohexan-1-ol is CC1CCC(O)C(CN2CCN3CCCCC3C2)C1.
What is the InChIKey of 2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)-4-methylcyclohexan-1-ol?
The InChIKey is ZAMCQAXTQPMDML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-13-5-6-16(19)14(10-13)11-17-8-9-18-7-3-2-4-15(18)12-17/h13-16,19H,2-12H2,1H3.
What are the key properties of 2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)-4-methylcyclohexan-1-ol?
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)-4-methylcyclohexan-1-ol has a molecular weight of 266.43 g/mol, XLogP of 1.95, 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-ylmethyl)-4-methylcyclohexan-1-ol is sourced from PubChem (CID 79925117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).