[(2S,3S)-3-benzylpyrrolidin-2-yl]methanol

C12H17NO — CID 130754239

IUPAC[(2S,3S)-3-benzylpyrrolidin-2-yl]methanol
SMILESOC[C@H]1NCC[C@@H]1Cc1ccccc1
InChIInChI=1S/C12H17NO/c14-9-12-11(6-7-13-12)8-10-4-2-1-3-5-10/h1-5,11-14H,6-9H2/t11-,12-/m1/s1
InChIKeyQLKDNIZATKTNLI-VXGBXAGGSA-N
MW191.27 g/mol
LogP1.20
Rot. Bonds3

About [(2S,3S)-3-benzylpyrrolidin-2-yl]methanol

[(2S,3S)-3-benzylpyrrolidin-2-yl]methanol (PubChem CID 130754239) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is [(2S,3S)-3-benzylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,3S)-3-benzylpyrrolidin-2-yl]methanol
PubChem CID130754239
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name[(2S,3S)-3-benzylpyrrolidin-2-yl]methanol
SMILESOC[C@H]1NCC[C@@H]1Cc1ccccc1
InChIInChI=1S/C12H17NO/c14-9-12-11(6-7-13-12)8-10-4-2-1-3-5-10/h1-5,11-14H,6-9H2/t11-,12-/m1/s1
InChIKeyQLKDNIZATKTNLI-VXGBXAGGSA-N
XLogP1.20
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-benzyl-2-ethylpyrrolidine
CID 4543797
3-benzylpyrrolidine-2-carboxylic acid
CID 14754197
[(2R,3S)-3-phenylpyrrolidin-2-yl]methanol
CID 98008478
[(2S,3R)-3-phenylmethoxypyrrolidin-2-yl]methanol
CID 167117714
(4-benzylpiperidin-2-yl)methanol
CID 91169099
2-benzylpiperidin-3-ol;hydrochloride
CID 115036439
(3R,4S)-4-benzylpiperidin-3-ol;hydrochloride
CID 171688498
[2-(phenoxymethyl)pyrrolidin-3-yl]methanol
CID 56975275
(2S)-2-benzylazetidine;molecular hydrogen
CID 145023089
2-benzyl-3-(3-cyclopropylphenyl)pyrrolidine
CID 79971324
[(2S,3S)-3-(2-bromophenyl)pyrrolidin-2-yl]methanol
CID 131001241
[(2R,3S)-3-(2-methylphenyl)pyrrolidin-2-yl]methanol
CID 130672690

Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-3-benzylpyrrolidin-2-yl]methanol?
The IUPAC name of [(2S,3S)-3-benzylpyrrolidin-2-yl]methanol (CID 130754239) is [(2S,3S)-3-benzylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S,3S)-3-benzylpyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S,3S)-3-benzylpyrrolidin-2-yl]methanol is OC[C@H]1NCC[C@@H]1Cc1ccccc1.
What is the InChIKey of [(2S,3S)-3-benzylpyrrolidin-2-yl]methanol?
The InChIKey is QLKDNIZATKTNLI-VXGBXAGGSA-N. The full InChI is InChI=1S/C12H17NO/c14-9-12-11(6-7-13-12)8-10-4-2-1-3-5-10/h1-5,11-14H,6-9H2/t11-,12-/m1/s1.
What are the key properties of [(2S,3S)-3-benzylpyrrolidin-2-yl]methanol?
[(2S,3S)-3-benzylpyrrolidin-2-yl]methanol has a molecular weight of 191.27 g/mol, XLogP of 1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-3-benzylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 130754239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).