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

C18H28N2O — CID 79917568

IUPAC1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-phenylpropan-2-ol
SMILESCC1CN2CCCCC2CN1CC(C)(O)c1ccccc1
InChIInChI=1S/C18H28N2O/c1-15-12-19-11-7-6-10-17(19)13-20(15)14-18(2,21)16-8-4-3-5-9-16/h3-5,8-9,15,17,21H,6-7,10-14H2,1-2H3
InChIKeyNCVCTVPXOJCSHM-UHFFFAOYSA-N
MW288.43 g/mol
LogP2.45
Rot. Bonds3

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

1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-phenylpropan-2-ol (PubChem CID 79917568) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is 1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-phenylpropan-2-ol.

Molecular Properties

Compound Name1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-phenylpropan-2-ol
PubChem CID79917568
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC Name1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-phenylpropan-2-ol
SMILESCC1CN2CCCCC2CN1CC(C)(O)c1ccccc1
InChIInChI=1S/C18H28N2O/c1-15-12-19-11-7-6-10-17(19)13-20(15)14-18(2,21)16-8-4-3-5-9-16/h3-5,8-9,15,17,21H,6-7,10-14H2,1-2H3
InChIKeyNCVCTVPXOJCSHM-UHFFFAOYSA-N
XLogP2.45
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-phenylpropan-2-ol
CID 79935803
1-amino-2-methyl-3-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)propan-2-ol
CID 79924930
2-[1-(2-hydroxy-2-phenylpropyl)piperidin-2-yl]acetic acid
CID 62373379
2-methyl-2-(methylamino)-3-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)propanamide
CID 79935496
1-[2-(2-hydroxypropyl)azepan-1-yl]-2-phenylpropan-2-ol
CID 114338665
3-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]pentan-3-ol
CID 115919455
3-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]benzoic acid
CID 79920463
[2-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]phenyl]methanamine
CID 79924464
1-(2,3-dimethylpiperidin-1-yl)-2-phenylpropan-2-ol
CID 55068472
1-[1-(2-hydroxy-2-phenylpropyl)piperidin-2-yl]ethanone
CID 63846895
2-methyl-3-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(propan-2-ylamino)propan-1-ol
CID 79925008
methyl 2-(ethylamino)-2-methyl-3-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)propanoate
CID 79915866

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-phenylpropan-2-ol?
The IUPAC name of 1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-phenylpropan-2-ol (CID 79917568) is 1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-phenylpropan-2-ol.
What is the SMILES notation for 1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-phenylpropan-2-ol?
The canonical SMILES for 1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-phenylpropan-2-ol is CC1CN2CCCCC2CN1CC(C)(O)c1ccccc1.
What is the InChIKey of 1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-phenylpropan-2-ol?
The InChIKey is NCVCTVPXOJCSHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-15-12-19-11-7-6-10-17(19)13-20(15)14-18(2,21)16-8-4-3-5-9-16/h3-5,8-9,15,17,21H,6-7,10-14H2,1-2H3.
What are the key properties of 1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-phenylpropan-2-ol?
1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-phenylpropan-2-ol has a molecular weight of 288.43 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-phenylpropan-2-ol is sourced from PubChem (CID 79917568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).