[(2S,4R)-1-benzyl-4-methoxypyrrolidin-2-yl]methanol

C13H19NO2 — CID 59971155

IUPAC[(2S,4R)-1-benzyl-4-methoxypyrrolidin-2-yl]methanol
SMILESCO[C@@H]1C[C@@H](CO)N(Cc2ccccc2)C1
InChIInChI=1S/C13H19NO2/c1-16-13-7-12(10-15)14(9-13)8-11-5-3-2-4-6-11/h2-6,12-13,15H,7-10H2,1H3/t12-,13+/m0/s1
InChIKeyWSHWCWNQKLVBNO-QWHCGFSZSA-N
MW221.30 g/mol
LogP1.27
Rot. Bonds4

About [(2S,4R)-1-benzyl-4-methoxypyrrolidin-2-yl]methanol

[(2S,4R)-1-benzyl-4-methoxypyrrolidin-2-yl]methanol (PubChem CID 59971155) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is [(2S,4R)-1-benzyl-4-methoxypyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,4R)-1-benzyl-4-methoxypyrrolidin-2-yl]methanol
PubChem CID59971155
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name[(2S,4R)-1-benzyl-4-methoxypyrrolidin-2-yl]methanol
SMILESCO[C@@H]1C[C@@H](CO)N(Cc2ccccc2)C1
InChIInChI=1S/C13H19NO2/c1-16-13-7-12(10-15)14(9-13)8-11-5-3-2-4-6-11/h2-6,12-13,15H,7-10H2,1H3/t12-,13+/m0/s1
InChIKeyWSHWCWNQKLVBNO-QWHCGFSZSA-N
XLogP1.27
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2S,4R)-1-benzyl-4-methoxypyrrolidin-2-yl]methanol?
The IUPAC name of [(2S,4R)-1-benzyl-4-methoxypyrrolidin-2-yl]methanol (CID 59971155) is [(2S,4R)-1-benzyl-4-methoxypyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S,4R)-1-benzyl-4-methoxypyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S,4R)-1-benzyl-4-methoxypyrrolidin-2-yl]methanol is CO[C@@H]1C[C@@H](CO)N(Cc2ccccc2)C1.
What is the InChIKey of [(2S,4R)-1-benzyl-4-methoxypyrrolidin-2-yl]methanol?
The InChIKey is WSHWCWNQKLVBNO-QWHCGFSZSA-N. The full InChI is InChI=1S/C13H19NO2/c1-16-13-7-12(10-15)14(9-13)8-11-5-3-2-4-6-11/h2-6,12-13,15H,7-10H2,1H3/t12-,13+/m0/s1.
What are the key properties of [(2S,4R)-1-benzyl-4-methoxypyrrolidin-2-yl]methanol?
[(2S,4R)-1-benzyl-4-methoxypyrrolidin-2-yl]methanol has a molecular weight of 221.30 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4R)-1-benzyl-4-methoxypyrrolidin-2-yl]methanol is sourced from PubChem (CID 59971155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).