[(3S)-1-phenylpyrrolidin-3-yl]methanol

C11H15NO — CID 42258987

IUPAC[(3S)-1-phenylpyrrolidin-3-yl]methanol
SMILESOC[C@H]1CCN(c2ccccc2)C1
InChIInChI=1S/C11H15NO/c13-9-10-6-7-12(8-10)11-4-2-1-3-5-11/h1-5,10,13H,6-9H2/t10-/m0/s1
InChIKeyGJFYMULJMJYQAD-JTQLQIEISA-N
MW177.25 g/mol
LogP1.51
Rot. Bonds2

About [(3S)-1-phenylpyrrolidin-3-yl]methanol

[(3S)-1-phenylpyrrolidin-3-yl]methanol (PubChem CID 42258987) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is [(3S)-1-phenylpyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-1-phenylpyrrolidin-3-yl]methanol
PubChem CID42258987
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name[(3S)-1-phenylpyrrolidin-3-yl]methanol
SMILESOC[C@H]1CCN(c2ccccc2)C1
InChIInChI=1S/C11H15NO/c13-9-10-6-7-12(8-10)11-4-2-1-3-5-11/h1-5,10,13H,6-9H2/t10-/m0/s1
InChIKeyGJFYMULJMJYQAD-JTQLQIEISA-N
XLogP1.51
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(3S)-1-pyridin-4-ylpyrrolidin-3-yl]methanol
CID 129367724
N-methyl-1-[(3R)-1-phenylpyrrolidin-3-yl]methanamine
CID 42258344
4-(hydroxymethyl)-N-(1-phenylpyrrolidin-3-yl)piperidine-1-carboxamide
CID 111106611
1-[(1-phenylpyrrolidin-3-yl)methyl]piperidine
CID 171069499
[1-[4-[(1S)-1-aminoethyl]phenyl]pyrrolidin-3-yl]methanol
CID 103942779
[1-(4-nitrophenyl)pyrrolidin-3-yl]methanol
CID 62370454
[1-[4-[(1R)-1-aminoethyl]phenyl]pyrrolidin-3-yl]methanol
CID 103942786
1-phenylpyrrolidin-3-ol
CID 11171152
(3R)-1-phenylpyrrolidin-3-amine
CID 51663648
3-(hydroxymethyl)-N-(1-phenylpiperidin-3-yl)pyrrolidine-1-carboxamide
CID 111444148
[1-(2-phenoxyphenyl)pyrrolidin-3-yl]methanol
CID 64865616
4-[(3R)-3-(hydroxymethyl)piperidin-1-yl]benzoic acid
CID 94373344

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-phenylpyrrolidin-3-yl]methanol?
The IUPAC name of [(3S)-1-phenylpyrrolidin-3-yl]methanol (CID 42258987) is [(3S)-1-phenylpyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3S)-1-phenylpyrrolidin-3-yl]methanol?
The canonical SMILES for [(3S)-1-phenylpyrrolidin-3-yl]methanol is OC[C@H]1CCN(c2ccccc2)C1.
What is the InChIKey of [(3S)-1-phenylpyrrolidin-3-yl]methanol?
The InChIKey is GJFYMULJMJYQAD-JTQLQIEISA-N. The full InChI is InChI=1S/C11H15NO/c13-9-10-6-7-12(8-10)11-4-2-1-3-5-11/h1-5,10,13H,6-9H2/t10-/m0/s1.
What are the key properties of [(3S)-1-phenylpyrrolidin-3-yl]methanol?
[(3S)-1-phenylpyrrolidin-3-yl]methanol has a molecular weight of 177.25 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-phenylpyrrolidin-3-yl]methanol is sourced from PubChem (CID 42258987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).