(1-phenyl-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrimidin-8-yl)methanol

C14H20N2O — CID 66808184

IUPAC(1-phenyl-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrimidin-8-yl)methanol
SMILESOCC1CCN2CCCN(c3ccccc3)C12
InChIInChI=1S/C14H20N2O/c17-11-12-7-10-15-8-4-9-16(14(12)15)13-5-2-1-3-6-13/h1-3,5-6,12,14,17H,4,7-11H2
InChIKeyKBMPOLIKEJSLQK-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.54
Rot. Bonds2

About (1-phenyl-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrimidin-8-yl)methanol

(1-phenyl-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrimidin-8-yl)methanol (PubChem CID 66808184) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is (1-phenyl-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrimidin-8-yl)methanol.

Molecular Properties

Compound Name(1-phenyl-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrimidin-8-yl)methanol
PubChem CID66808184
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name(1-phenyl-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrimidin-8-yl)methanol
SMILESOCC1CCN2CCCN(c3ccccc3)C12
InChIInChI=1S/C14H20N2O/c17-11-12-7-10-15-8-4-9-16(14(12)15)13-5-2-1-3-6-13/h1-3,5-6,12,14,17H,4,7-11H2
InChIKeyKBMPOLIKEJSLQK-UHFFFAOYSA-N
XLogP1.54
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1-phenyl-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrimidin-8-yl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2-diphenylpyrrolidine;ethanol
CID 67627522
1,1'-biphenyl;2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-ylmethanol
CID 174695572
phenyl-(1-phenylpyrrolidin-2-yl)methanol
CID 164523197
(2S)-1-phenylpyrrolidine-2-carbaldehyde
CID 173110062
1-phenyl-2-(trifluoromethyl)pyrrolidine
CID 46193758
2-(2,3-dimethylbut-2-enyl)-1-phenylpyrrolidine
CID 101376496
[(2R,3R)-2-methyl-1-phenylpiperidin-3-yl]methanamine
CID 96618250
[(2S)-2-(azetidin-1-yl)cyclohexyl]methanol
CID 58117124
(2S)-1-phenylpiperidine-2-carbaldehyde
CID 86336366
[(2R)-1-phenylpiperidin-2-yl]methanamine
CID 131023899
1-phenyl-2-(trifluoromethyl)piperidine
CID 144718854
(1R,8S,8aS)-1-(hydroxymethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol
CID 102464087

Frequently Asked Questions

What is the IUPAC name of (1-phenyl-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrimidin-8-yl)methanol?
The IUPAC name of (1-phenyl-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrimidin-8-yl)methanol (CID 66808184) is (1-phenyl-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrimidin-8-yl)methanol.
What is the SMILES notation for (1-phenyl-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrimidin-8-yl)methanol?
The canonical SMILES for (1-phenyl-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrimidin-8-yl)methanol is OCC1CCN2CCCN(c3ccccc3)C12.
What is the InChIKey of (1-phenyl-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrimidin-8-yl)methanol?
The InChIKey is KBMPOLIKEJSLQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c17-11-12-7-10-15-8-4-9-16(14(12)15)13-5-2-1-3-6-13/h1-3,5-6,12,14,17H,4,7-11H2.
What are the key properties of (1-phenyl-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrimidin-8-yl)methanol?
(1-phenyl-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrimidin-8-yl)methanol has a molecular weight of 232.33 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-phenyl-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrimidin-8-yl)methanol is sourced from PubChem (CID 66808184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).