1-(3-hydroxy-3-phenylpropyl)pyrrolidin-3-ol

C13H19NO2 — CID 62943227

IUPAC1-(3-hydroxy-3-phenylpropyl)pyrrolidin-3-ol
SMILESOC1CCN(CCC(O)c2ccccc2)C1
InChIInChI=1S/C13H19NO2/c15-12-6-8-14(10-12)9-7-13(16)11-4-2-1-3-5-11/h1-5,12-13,15-16H,6-10H2
InChIKeyYWFNOBRWEIZNNK-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.18
Rot. Bonds4

About 1-(3-hydroxy-3-phenylpropyl)pyrrolidin-3-ol

1-(3-hydroxy-3-phenylpropyl)pyrrolidin-3-ol (PubChem CID 62943227) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-(3-hydroxy-3-phenylpropyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(3-hydroxy-3-phenylpropyl)pyrrolidin-3-ol
PubChem CID62943227
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name1-(3-hydroxy-3-phenylpropyl)pyrrolidin-3-ol
SMILESOC1CCN(CCC(O)c2ccccc2)C1
InChIInChI=1S/C13H19NO2/c15-12-6-8-14(10-12)9-7-13(16)11-4-2-1-3-5-11/h1-5,12-13,15-16H,6-10H2
InChIKeyYWFNOBRWEIZNNK-UHFFFAOYSA-N
XLogP1.18
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-hydroxy-3-phenylpropyl)piperidin-3-ol
CID 55094317
1-[3-(4-chlorophenyl)-3-hydroxypropyl]pyrrolidin-3-ol
CID 55131757
3-(3,4-dimethylpiperidin-1-yl)-1-phenylpropan-1-ol
CID 22770544
1-[3-(3-chlorophenyl)-3-hydroxypropyl]pyrrolidin-3-ol
CID 62941193
(1R)-3-(3-aminopiperidin-1-yl)-1-phenylpropan-1-ol
CID 112742222
3-(4-ethoxypiperidin-1-yl)-1-phenylpropan-1-ol
CID 62612441
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-phenylpropan-1-ol
CID 115562031
1-[3-hydroxy-3-(3-methylphenyl)propyl]piperidin-4-ol
CID 62623635
3-[4-[(dimethylamino)methyl]piperidin-1-yl]-1-phenylpropan-1-ol
CID 62612776
1-(2-amino-2-phenylethyl)pyrrolidin-3-ol
CID 18939029
(3S)-1-[(3S)-3-(4-hexoxyphenyl)-3-hydroxypropyl]pyrrolidin-3-ol
CID 70247484
4-(4-benzhydrylpiperidin-1-yl)-1-phenylbutan-1-ol
CID 19937449

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-3-phenylpropyl)pyrrolidin-3-ol?
The IUPAC name of 1-(3-hydroxy-3-phenylpropyl)pyrrolidin-3-ol (CID 62943227) is 1-(3-hydroxy-3-phenylpropyl)pyrrolidin-3-ol.
What is the SMILES notation for 1-(3-hydroxy-3-phenylpropyl)pyrrolidin-3-ol?
The canonical SMILES for 1-(3-hydroxy-3-phenylpropyl)pyrrolidin-3-ol is OC1CCN(CCC(O)c2ccccc2)C1.
What is the InChIKey of 1-(3-hydroxy-3-phenylpropyl)pyrrolidin-3-ol?
The InChIKey is YWFNOBRWEIZNNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c15-12-6-8-14(10-12)9-7-13(16)11-4-2-1-3-5-11/h1-5,12-13,15-16H,6-10H2.
What are the key properties of 1-(3-hydroxy-3-phenylpropyl)pyrrolidin-3-ol?
1-(3-hydroxy-3-phenylpropyl)pyrrolidin-3-ol has a molecular weight of 221.30 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-3-phenylpropyl)pyrrolidin-3-ol is sourced from PubChem (CID 62943227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).