(4S)-1-benzyl-3-methyl-4-phenylpyrrolidine

C18H21N — CID 71104653

IUPAC(4S)-1-benzyl-3-methyl-4-phenylpyrrolidine
SMILESCC1CN(Cc2ccccc2)C[C@@H]1c1ccccc1
InChIInChI=1S/C18H21N/c1-15-12-19(13-16-8-4-2-5-9-16)14-18(15)17-10-6-3-7-11-17/h2-11,15,18H,12-14H2,1H3/t15?,18-/m0/s1
InChIKeyQUQCIZKURXCKIB-PKHIMPSTSA-N
MW251.37 g/mol
LogP3.92
Rot. Bonds3

About (4S)-1-benzyl-3-methyl-4-phenylpyrrolidine

(4S)-1-benzyl-3-methyl-4-phenylpyrrolidine (PubChem CID 71104653) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is (4S)-1-benzyl-3-methyl-4-phenylpyrrolidine.

Molecular Properties

Compound Name(4S)-1-benzyl-3-methyl-4-phenylpyrrolidine
PubChem CID71104653
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC Name(4S)-1-benzyl-3-methyl-4-phenylpyrrolidine
SMILESCC1CN(Cc2ccccc2)C[C@@H]1c1ccccc1
InChIInChI=1S/C18H21N/c1-15-12-19(13-16-8-4-2-5-9-16)14-18(15)17-10-6-3-7-11-17/h2-11,15,18H,12-14H2,1H3/t15?,18-/m0/s1
InChIKeyQUQCIZKURXCKIB-PKHIMPSTSA-N
XLogP3.92
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-benzyl-3-methyl-4-phenylpyrrolidine
CID 3522572
1-benzyl-3,4-diphenylpyrrolidine
CID 5136126
1-benzyl-3,5-dimethyl-4-phenylpiperidine
CID 141122584
1-benzyl-4-phenylpyrrolidin-3-ol
CID 12044053
1-ethyl-3-methyl-4-phenylpyrrolidine
CID 130451678
(3S,5S)-1-benzyl-4-chloro-3,5-dimethylpiperidine
CID 97176894
(3S,4R)-1-benzyl-4-phenylpyrrolidine-3-carboxylic acid
CID 12922299
(3S,4R)-1-benzyl-N-methyl-4-phenylpyrrolidin-3-amine
CID 59840122
(3R,5R)-1-benzyl-4-bromo-3,5-dimethylpiperidine
CID 97176892
(3S,5R)-1-benzyl-3,5-dimethylpiperidin-4-amine
CID 92979356
1-benzyl-3-bromo-4-methylpyrrolidine
CID 127008953
(3S,4R)-1-benzyl-4-phenylpyrrolidine-3-carboxylic acid;ethane;iodoethane
CID 123682469

Frequently Asked Questions

What is the IUPAC name of (4S)-1-benzyl-3-methyl-4-phenylpyrrolidine?
The IUPAC name of (4S)-1-benzyl-3-methyl-4-phenylpyrrolidine (CID 71104653) is (4S)-1-benzyl-3-methyl-4-phenylpyrrolidine.
What is the SMILES notation for (4S)-1-benzyl-3-methyl-4-phenylpyrrolidine?
The canonical SMILES for (4S)-1-benzyl-3-methyl-4-phenylpyrrolidine is CC1CN(Cc2ccccc2)C[C@@H]1c1ccccc1.
What is the InChIKey of (4S)-1-benzyl-3-methyl-4-phenylpyrrolidine?
The InChIKey is QUQCIZKURXCKIB-PKHIMPSTSA-N. The full InChI is InChI=1S/C18H21N/c1-15-12-19(13-16-8-4-2-5-9-16)14-18(15)17-10-6-3-7-11-17/h2-11,15,18H,12-14H2,1H3/t15?,18-/m0/s1.
What are the key properties of (4S)-1-benzyl-3-methyl-4-phenylpyrrolidine?
(4S)-1-benzyl-3-methyl-4-phenylpyrrolidine has a molecular weight of 251.37 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-benzyl-3-methyl-4-phenylpyrrolidine is sourced from PubChem (CID 71104653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).