3-phenyl-3-pyrrolidin-1-ylpropan-1-ol

C13H19NO — CID 83936530

IUPAC3-phenyl-3-pyrrolidin-1-ylpropan-1-ol
SMILESOCCC(c1ccccc1)N1CCCC1
InChIInChI=1S/C13H19NO/c15-11-8-13(14-9-4-5-10-14)12-6-2-1-3-7-12/h1-3,6-7,13,15H,4-5,8-11H2
InChIKeyZUUUNAHHEJMMTK-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.21
Rot. Bonds4

About 3-phenyl-3-pyrrolidin-1-ylpropan-1-ol

3-phenyl-3-pyrrolidin-1-ylpropan-1-ol (PubChem CID 83936530) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 3-phenyl-3-pyrrolidin-1-ylpropan-1-ol.

Molecular Properties

Compound Name3-phenyl-3-pyrrolidin-1-ylpropan-1-ol
PubChem CID83936530
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name3-phenyl-3-pyrrolidin-1-ylpropan-1-ol
SMILESOCCC(c1ccccc1)N1CCCC1
InChIInChI=1S/C13H19NO/c15-11-8-13(14-9-4-5-10-14)12-6-2-1-3-7-12/h1-3,6-7,13,15H,4-5,8-11H2
InChIKeyZUUUNAHHEJMMTK-UHFFFAOYSA-N
XLogP2.21
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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3-(3-methylsulfonylphenyl)-3-pyrrolidin-1-ylpropan-1-ol
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3-(4-propylsulfanylphenyl)-3-pyrrolidin-1-ylpropan-1-ol
CID 83935710
(3R)-3-(4-phenylphenyl)-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171189192
tert-butyl 4-(3-hydroxy-1-phenylpropyl)piperazine-1-carboxylate
CID 142661174
2-chloro-N-(3-phenyl-3-pyrrolidin-1-ylpropyl)acetamide;hydrochloride
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1-[(1S)-2-[(S)-methylsulfinyl]-1-phenylethyl]pyrrolidine
CID 10657531
1-[(1S)-3-methyl-1-phenylbutyl]piperidine
CID 92967702
1-(3,3-dimethyl-1-phenylbutyl)pyrrolidine
CID 58442316
1-(3-methyl-1-phenylbutyl)piperidine
CID 3056530

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-3-pyrrolidin-1-ylpropan-1-ol?
The IUPAC name of 3-phenyl-3-pyrrolidin-1-ylpropan-1-ol (CID 83936530) is 3-phenyl-3-pyrrolidin-1-ylpropan-1-ol.
What is the SMILES notation for 3-phenyl-3-pyrrolidin-1-ylpropan-1-ol?
The canonical SMILES for 3-phenyl-3-pyrrolidin-1-ylpropan-1-ol is OCCC(c1ccccc1)N1CCCC1.
What is the InChIKey of 3-phenyl-3-pyrrolidin-1-ylpropan-1-ol?
The InChIKey is ZUUUNAHHEJMMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c15-11-8-13(14-9-4-5-10-14)12-6-2-1-3-7-12/h1-3,6-7,13,15H,4-5,8-11H2.
What are the key properties of 3-phenyl-3-pyrrolidin-1-ylpropan-1-ol?
3-phenyl-3-pyrrolidin-1-ylpropan-1-ol has a molecular weight of 205.30 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-3-pyrrolidin-1-ylpropan-1-ol is sourced from PubChem (CID 83936530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).