3-[7,8-dimethyl-1-(2-phenylethyl)-1,2,3,4,6,7,9,9a-octahydropyrido[1,2-a]pyrazin-8-yl]phenol

C24H32N2O — CID 154183313

IUPAC3-[7,8-dimethyl-1-(2-phenylethyl)-1,2,3,4,6,7,9,9a-octahydropyrido[1,2-a]pyrazin-8-yl]phenol
SMILESCC1CN2CCNC(CCc3ccccc3)C2CC1(C)c1cccc(O)c1
InChIInChI=1S/C24H32N2O/c1-18-17-26-14-13-25-22(12-11-19-7-4-3-5-8-19)23(26)16-24(18,2)20-9-6-10-21(27)15-20/h3-10,15,18,22-23,25,27H,11-14,16-17H2,1-2H3
InChIKeyFUDOMMCUANXTBQ-UHFFFAOYSA-N
MW364.53 g/mol
LogP3.96
Rot. Bonds4

About 3-[7,8-dimethyl-1-(2-phenylethyl)-1,2,3,4,6,7,9,9a-octahydropyrido[1,2-a]pyrazin-8-yl]phenol

3-[7,8-dimethyl-1-(2-phenylethyl)-1,2,3,4,6,7,9,9a-octahydropyrido[1,2-a]pyrazin-8-yl]phenol (PubChem CID 154183313) has the molecular formula C24H32N2O and a molecular weight of 364.53 g/mol. Its IUPAC name is 3-[7,8-dimethyl-1-(2-phenylethyl)-1,2,3,4,6,7,9,9a-octahydropyrido[1,2-a]pyrazin-8-yl]phenol.

Molecular Properties

Compound Name3-[7,8-dimethyl-1-(2-phenylethyl)-1,2,3,4,6,7,9,9a-octahydropyrido[1,2-a]pyrazin-8-yl]phenol
PubChem CID154183313
Molecular FormulaC24H32N2O
Molecular Weight364.53 g/mol
Exact Mass364.25
IUPAC Name3-[7,8-dimethyl-1-(2-phenylethyl)-1,2,3,4,6,7,9,9a-octahydropyrido[1,2-a]pyrazin-8-yl]phenol
SMILESCC1CN2CCNC(CCc3ccccc3)C2CC1(C)c1cccc(O)c1
InChIInChI=1S/C24H32N2O/c1-18-17-26-14-13-25-22(12-11-19-7-4-3-5-8-19)23(26)16-24(18,2)20-9-6-10-21(27)15-20/h3-10,15,18,22-23,25,27H,11-14,16-17H2,1-2H3
InChIKeyFUDOMMCUANXTBQ-UHFFFAOYSA-N
XLogP3.96
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.53
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(7R,8R,9aR)-7,8-dimethyl-1-(2-phenylethyl)-1,2,3,4,6,7,9,9a-octahydropyrido[1,2-a]pyrazin-8-yl]phenol
CID 154380891
3-[(3R,4R)-3,4-dimethyl-1-(4-phenylbutyl)piperidin-4-yl]phenol
CID 10382459
3-[(8R)-7,8-dimethyl-3-propan-2-yl-1,2,3,4,6,7,9,9a-octahydropyrido[1,2-a]pyrazin-8-yl]phenol
CID 70790327
3-(2,3-dimethyl-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-yl)phenol
CID 68878981
1-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]-4-phenylbutan-1-one
CID 10428021
3-[(8R)-8-(3-hydroxyphenyl)-7,8-dimethyl-3-phenyl-3,4,6,7,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-2-yl]propanoic acid
CID 70316229
3-[1-(2-amino-3-phenylpropyl)-3,4-dimethylpiperidin-4-yl]phenol
CID 19735846
ethane;8-(3-hydroxyphenyl)-7,8-dimethyl-2,3,6,7,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 143450004
3-[(3R,4R)-3,4-dimethyl-1-[2-(3-methylphenyl)ethyl]piperidin-4-yl]phenol
CID 10381553
3-[(8R)-7,8-dimethyl-2-[(2-pyridin-4-ylphenyl)methyl]-3,4,6,7,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-8-yl]phenol
CID 70316535
3-[(3R,4S)-3,4-dimethylpiperidin-4-yl]phenol;phenol
CID 67900798
3-[1-(cyclopentylmethyl)-3,4-dimethylpiperidin-4-yl]phenol
CID 15670123

Frequently Asked Questions

What is the IUPAC name of 3-[7,8-dimethyl-1-(2-phenylethyl)-1,2,3,4,6,7,9,9a-octahydropyrido[1,2-a]pyrazin-8-yl]phenol?
The IUPAC name of 3-[7,8-dimethyl-1-(2-phenylethyl)-1,2,3,4,6,7,9,9a-octahydropyrido[1,2-a]pyrazin-8-yl]phenol (CID 154183313) is 3-[7,8-dimethyl-1-(2-phenylethyl)-1,2,3,4,6,7,9,9a-octahydropyrido[1,2-a]pyrazin-8-yl]phenol.
What is the SMILES notation for 3-[7,8-dimethyl-1-(2-phenylethyl)-1,2,3,4,6,7,9,9a-octahydropyrido[1,2-a]pyrazin-8-yl]phenol?
The canonical SMILES for 3-[7,8-dimethyl-1-(2-phenylethyl)-1,2,3,4,6,7,9,9a-octahydropyrido[1,2-a]pyrazin-8-yl]phenol is CC1CN2CCNC(CCc3ccccc3)C2CC1(C)c1cccc(O)c1.
What is the InChIKey of 3-[7,8-dimethyl-1-(2-phenylethyl)-1,2,3,4,6,7,9,9a-octahydropyrido[1,2-a]pyrazin-8-yl]phenol?
The InChIKey is FUDOMMCUANXTBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O/c1-18-17-26-14-13-25-22(12-11-19-7-4-3-5-8-19)23(26)16-24(18,2)20-9-6-10-21(27)15-20/h3-10,15,18,22-23,25,27H,11-14,16-17H2,1-2H3.
What are the key properties of 3-[7,8-dimethyl-1-(2-phenylethyl)-1,2,3,4,6,7,9,9a-octahydropyrido[1,2-a]pyrazin-8-yl]phenol?
3-[7,8-dimethyl-1-(2-phenylethyl)-1,2,3,4,6,7,9,9a-octahydropyrido[1,2-a]pyrazin-8-yl]phenol has a molecular weight of 364.53 g/mol, XLogP of 3.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7,8-dimethyl-1-(2-phenylethyl)-1,2,3,4,6,7,9,9a-octahydropyrido[1,2-a]pyrazin-8-yl]phenol is sourced from PubChem (CID 154183313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).