3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-phenylpropan-1-ol

C16H23NO — CID 115562031

IUPAC3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-phenylpropan-1-ol
SMILESOC(CCN1CC2CCCC2C1)c1ccccc1
InChIInChI=1S/C16H23NO/c18-16(13-5-2-1-3-6-13)9-10-17-11-14-7-4-8-15(14)12-17/h1-3,5-6,14-16,18H,4,7-12H2
InChIKeyWHGWBFVYCLKIBE-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.84
Rot. Bonds4

About 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-phenylpropan-1-ol

3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-phenylpropan-1-ol (PubChem CID 115562031) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-phenylpropan-1-ol.

Molecular Properties

Compound Name3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-phenylpropan-1-ol
PubChem CID115562031
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-phenylpropan-1-ol
SMILESOC(CCN1CC2CCCC2C1)c1ccccc1
InChIInChI=1S/C16H23NO/c18-16(13-5-2-1-3-6-13)9-10-17-11-14-7-4-8-15(14)12-17/h1-3,5-6,14-16,18H,4,7-12H2
InChIKeyWHGWBFVYCLKIBE-UHFFFAOYSA-N
XLogP2.84
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-phenylpropan-1-ol with MolForge

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Related Compounds

1-(3-hydroxy-3-phenylpropyl)piperidin-3-ol
CID 55094317
1-(3-hydroxy-3-phenylpropyl)pyrrolidin-3-ol
CID 62943227
4-[2-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]phenol;phenol
CID 145052357
(1R)-3-(3-aminopiperidin-1-yl)-1-phenylpropan-1-ol
CID 112742222
3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1-phenylpropan-1-ol
CID 62613754
3-(3,4-dimethylpiperidin-1-yl)-1-phenylpropan-1-ol
CID 22770544
3-(4-ethoxypiperidin-1-yl)-1-phenylpropan-1-ol
CID 62612441
1-(4-phenylphenyl)-3-pyrrolidin-1-ylpropan-1-ol
CID 70278414
3-[4-[(dimethylamino)methyl]piperidin-1-yl]-1-phenylpropan-1-ol
CID 62612776
(1R)-3-[2-[(3R)-3-hydroxy-3-phenylpropyl]-2,8-diazaspiro[5.5]undecan-8-yl]-1-phenylpropan-1-ol
CID 166211934
1-phenyl-4-(6-phenyl-3-azabicyclo[3.2.0]heptan-3-yl)butan-1-ol
CID 22405844
3-[2-(hydroxymethyl)piperidin-1-yl]-1-phenylpropan-1-ol
CID 62612282

Frequently Asked Questions

What is the IUPAC name of 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-phenylpropan-1-ol?
The IUPAC name of 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-phenylpropan-1-ol (CID 115562031) is 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-phenylpropan-1-ol.
What is the SMILES notation for 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-phenylpropan-1-ol?
The canonical SMILES for 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-phenylpropan-1-ol is OC(CCN1CC2CCCC2C1)c1ccccc1.
What is the InChIKey of 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-phenylpropan-1-ol?
The InChIKey is WHGWBFVYCLKIBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c18-16(13-5-2-1-3-6-13)9-10-17-11-14-7-4-8-15(14)12-17/h1-3,5-6,14-16,18H,4,7-12H2.
What are the key properties of 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-phenylpropan-1-ol?
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-phenylpropan-1-ol has a molecular weight of 245.37 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-phenylpropan-1-ol is sourced from PubChem (CID 115562031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).