[(3R)-1-benzyl-3-phenylpyrrolidin-3-yl]methanol

C18H21NO — CID 166450923

IUPAC[(3R)-1-benzyl-3-phenylpyrrolidin-3-yl]methanol
SMILESOC[C@@]1(c2ccccc2)CCN(Cc2ccccc2)C1
InChIInChI=1S/C18H21NO/c20-15-18(17-9-5-2-6-10-17)11-12-19(14-18)13-16-7-3-1-4-8-16/h1-10,20H,11-15H2/t18-/m1/s1
InChIKeySEKWWCPJXPJZKJ-GOSISDBHSA-N
MW267.37 g/mol
LogP2.82
Rot. Bonds4

About [(3R)-1-benzyl-3-phenylpyrrolidin-3-yl]methanol

[(3R)-1-benzyl-3-phenylpyrrolidin-3-yl]methanol (PubChem CID 166450923) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is [(3R)-1-benzyl-3-phenylpyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R)-1-benzyl-3-phenylpyrrolidin-3-yl]methanol
PubChem CID166450923
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name[(3R)-1-benzyl-3-phenylpyrrolidin-3-yl]methanol
SMILESOC[C@@]1(c2ccccc2)CCN(Cc2ccccc2)C1
InChIInChI=1S/C18H21NO/c20-15-18(17-9-5-2-6-10-17)11-12-19(14-18)13-16-7-3-1-4-8-16/h1-10,20H,11-15H2/t18-/m1/s1
InChIKeySEKWWCPJXPJZKJ-GOSISDBHSA-N
XLogP2.82
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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(1-Benzylpyrrolidin-3-yl)methanol
CID 5176654
1-(1-Benzylpiperidin-4-yl)-2-phenylethanol;hydrochloride
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{1-Benzyl-4-[2-(trifluoromethyl)benzyl]piperidin-4-yl}methanol
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CID 16191979

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-benzyl-3-phenylpyrrolidin-3-yl]methanol?
The IUPAC name of [(3R)-1-benzyl-3-phenylpyrrolidin-3-yl]methanol (CID 166450923) is [(3R)-1-benzyl-3-phenylpyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3R)-1-benzyl-3-phenylpyrrolidin-3-yl]methanol?
The canonical SMILES for [(3R)-1-benzyl-3-phenylpyrrolidin-3-yl]methanol is OC[C@@]1(c2ccccc2)CCN(Cc2ccccc2)C1.
What is the InChIKey of [(3R)-1-benzyl-3-phenylpyrrolidin-3-yl]methanol?
The InChIKey is SEKWWCPJXPJZKJ-GOSISDBHSA-N. The full InChI is InChI=1S/C18H21NO/c20-15-18(17-9-5-2-6-10-17)11-12-19(14-18)13-16-7-3-1-4-8-16/h1-10,20H,11-15H2/t18-/m1/s1.
What are the key properties of [(3R)-1-benzyl-3-phenylpyrrolidin-3-yl]methanol?
[(3R)-1-benzyl-3-phenylpyrrolidin-3-yl]methanol has a molecular weight of 267.37 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-benzyl-3-phenylpyrrolidin-3-yl]methanol is sourced from PubChem (CID 166450923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).