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

C18H28N2O — CID 103960264

IUPAC(1R)-1-[2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]propan-1-ol
SMILESCC[C@@H](O)c1ccccc1N1CC2CCCCN2CC1C
InChIInChI=1S/C18H28N2O/c1-3-18(21)16-9-4-5-10-17(16)20-13-15-8-6-7-11-19(15)12-14(20)2/h4-5,9-10,14-15,18,21H,3,6-8,11-13H2,1-2H3/t14?,15?,18-/m1/s1
InChIKeyJOADWDOEFSVEGC-JTTJXQCZSA-N
MW288.44 g/mol
LogP3.19
Rot. Bonds3

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

(1R)-1-[2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]propan-1-ol (PubChem CID 103960264) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is (1R)-1-[2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]propan-1-ol.

Molecular Properties

Compound Name(1R)-1-[2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]propan-1-ol
PubChem CID103960264
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name(1R)-1-[2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]propan-1-ol
SMILESCC[C@@H](O)c1ccccc1N1CC2CCCCN2CC1C
InChIInChI=1S/C18H28N2O/c1-3-18(21)16-9-4-5-10-17(16)20-13-15-8-6-7-11-19(15)12-14(20)2/h4-5,9-10,14-15,18,21H,3,6-8,11-13H2,1-2H3/t14?,15?,18-/m1/s1
InChIKeyJOADWDOEFSVEGC-JTTJXQCZSA-N
XLogP3.19
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]ethanol
CID 79931487
(1S)-1-[2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]propan-1-amine
CID 103959030
1-[2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)phenyl]propan-1-amine
CID 115995355
(1S)-1-[2-(2-methylazepan-1-yl)phenyl]propan-1-ol
CID 103960186
1-[2-(4-cyclopentylpiperazin-1-yl)phenyl]propan-1-ol
CID 115995985
(1R)-1-[2-(4-cyclopentylpiperazin-1-yl)phenyl]propan-1-ol
CID 103960071
2-[2-(difluoromethoxy)phenyl]-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79916181
2-(2,3-dichlorophenyl)-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79925914
(1R)-1-[2-(2,5-dimethylmorpholin-4-yl)phenyl]propan-1-ol
CID 113358942
2-chloro-6-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)aniline
CID 104834718
1-[2-[(1R)-1-hydroxypropyl]phenyl]-N-methylpiperidine-2-carboxamide
CID 103959932
1-[2-(3-methylpiperidin-1-yl)phenyl]propan-1-ol
CID 112678761

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]propan-1-ol?
The IUPAC name of (1R)-1-[2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]propan-1-ol (CID 103960264) is (1R)-1-[2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]propan-1-ol.
What is the SMILES notation for (1R)-1-[2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]propan-1-ol?
The canonical SMILES for (1R)-1-[2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]propan-1-ol is CC[C@@H](O)c1ccccc1N1CC2CCCCN2CC1C.
What is the InChIKey of (1R)-1-[2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]propan-1-ol?
The InChIKey is JOADWDOEFSVEGC-JTTJXQCZSA-N. The full InChI is InChI=1S/C18H28N2O/c1-3-18(21)16-9-4-5-10-17(16)20-13-15-8-6-7-11-19(15)12-14(20)2/h4-5,9-10,14-15,18,21H,3,6-8,11-13H2,1-2H3/t14?,15?,18-/m1/s1.
What are the key properties of (1R)-1-[2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]propan-1-ol?
(1R)-1-[2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]propan-1-ol has a molecular weight of 288.44 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]propan-1-ol is sourced from PubChem (CID 103960264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).