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

C13H19NO — CID 67986287

IUPAC[(2R,4R)-1-benzyl-4-methylpyrrolidin-2-yl]methanol
SMILESC[C@@H]1C[C@H](CO)N(Cc2ccccc2)C1
InChIInChI=1S/C13H19NO/c1-11-7-13(10-15)14(8-11)9-12-5-3-2-4-6-12/h2-6,11,13,15H,7-10H2,1H3/t11-,13-/m1/s1
InChIKeyBYFBLBLWIKQDCW-DGCLKSJQSA-N
MW205.30 g/mol
LogP1.89
Rot. Bonds3

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

[(2R,4R)-1-benzyl-4-methylpyrrolidin-2-yl]methanol (PubChem CID 67986287) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is [(2R,4R)-1-benzyl-4-methylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R,4R)-1-benzyl-4-methylpyrrolidin-2-yl]methanol
PubChem CID67986287
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name[(2R,4R)-1-benzyl-4-methylpyrrolidin-2-yl]methanol
SMILESC[C@@H]1C[C@H](CO)N(Cc2ccccc2)C1
InChIInChI=1S/C13H19NO/c1-11-7-13(10-15)14(8-11)9-12-5-3-2-4-6-12/h2-6,11,13,15H,7-10H2,1H3/t11-,13-/m1/s1
InChIKeyBYFBLBLWIKQDCW-DGCLKSJQSA-N
XLogP1.89
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2R,4R)-1-benzyl-4-methylpyrrolidin-2-yl]methanol?
The IUPAC name of [(2R,4R)-1-benzyl-4-methylpyrrolidin-2-yl]methanol (CID 67986287) is [(2R,4R)-1-benzyl-4-methylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2R,4R)-1-benzyl-4-methylpyrrolidin-2-yl]methanol?
The canonical SMILES for [(2R,4R)-1-benzyl-4-methylpyrrolidin-2-yl]methanol is C[C@@H]1C[C@H](CO)N(Cc2ccccc2)C1.
What is the InChIKey of [(2R,4R)-1-benzyl-4-methylpyrrolidin-2-yl]methanol?
The InChIKey is BYFBLBLWIKQDCW-DGCLKSJQSA-N. The full InChI is InChI=1S/C13H19NO/c1-11-7-13(10-15)14(8-11)9-12-5-3-2-4-6-12/h2-6,11,13,15H,7-10H2,1H3/t11-,13-/m1/s1.
What are the key properties of [(2R,4R)-1-benzyl-4-methylpyrrolidin-2-yl]methanol?
[(2R,4R)-1-benzyl-4-methylpyrrolidin-2-yl]methanol has a molecular weight of 205.30 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4R)-1-benzyl-4-methylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 67986287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).