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

C16H30N2O — CID 79935309

IUPAC2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-ethylcyclohexan-1-ol
SMILESCCC1CCC(O)C(N2CCN3CCCCC3C2)C1
InChIInChI=1S/C16H30N2O/c1-2-13-6-7-16(19)15(11-13)18-10-9-17-8-4-3-5-14(17)12-18/h13-16,19H,2-12H2,1H3
InChIKeyXCHJYHNXEGKKJV-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.10
Rot. Bonds2

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

2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-ethylcyclohexan-1-ol (PubChem CID 79935309) 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-yl)-4-ethylcyclohexan-1-ol.

Molecular Properties

Compound Name2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-ethylcyclohexan-1-ol
PubChem CID79935309
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-yl)-4-ethylcyclohexan-1-ol
SMILESCCC1CCC(O)C(N2CCN3CCCCC3C2)C1
InChIInChI=1S/C16H30N2O/c1-2-13-6-7-16(19)15(11-13)18-10-9-17-8-4-3-5-14(17)12-18/h13-16,19H,2-12H2,1H3
InChIKeyXCHJYHNXEGKKJV-UHFFFAOYSA-N
XLogP2.10
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 ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-ethylcyclohexyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79929792
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-propan-2-ylcyclohexan-1-ol
CID 79934726
4-ethyl-N-methyl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)cyclohexan-1-amine
CID 63169906
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-ethyl-N-propylcyclohexan-1-amine
CID 79928660
2-[3-(diethylamino)pyrrolidin-1-yl]-4-ethylcyclohexan-1-ol
CID 63165668
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-4-ethylcyclohexane-1-carbonitrile
CID 63150575
2-[(4-ethylcyclohexyl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79930234
2-(3,4-dimethoxypyrrolidin-1-yl)-4-ethylcyclohexan-1-ol
CID 103537746
4-ethyl-2-[4-(2-methylpropyl)piperazin-1-yl]cyclohexan-1-ol
CID 55116782
2-(4-tert-butylpiperidin-1-yl)-4-ethylcyclohexan-1-ol
CID 63470965
4-ethyl-2-(3,3,4-trimethylpiperazin-1-yl)cyclohexan-1-ol
CID 63636104
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-propylcyclohexane-1-carboxylic acid
CID 79935193

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-ethylcyclohexan-1-ol?
The IUPAC name of 2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-ethylcyclohexan-1-ol (CID 79935309) is 2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-ethylcyclohexan-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-ethylcyclohexan-1-ol?
The canonical SMILES for 2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-ethylcyclohexan-1-ol is CCC1CCC(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-ethylcyclohexan-1-ol?
The InChIKey is XCHJYHNXEGKKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-2-13-6-7-16(19)15(11-13)18-10-9-17-8-4-3-5-14(17)12-18/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-yl)-4-ethylcyclohexan-1-ol?
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-ethylcyclohexan-1-ol has a molecular weight of 266.43 g/mol, XLogP of 2.10, 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-ethylcyclohexan-1-ol is sourced from PubChem (CID 79935309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).