1-benzyl-3,4-diphenylpyrrolidine

C23H23N — CID 5136126

IUPAC1-benzyl-3,4-diphenylpyrrolidine
SMILESc1ccc(CN2CC(c3ccccc3)C(c3ccccc3)C2)cc1
InChIInChI=1S/C23H23N/c1-4-10-19(11-5-1)16-24-17-22(20-12-6-2-7-13-20)23(18-24)21-14-8-3-9-15-21/h1-15,22-23H,16-18H2
InChIKeyJPSTZYGETAMJNQ-UHFFFAOYSA-N
MW313.44 g/mol
LogP5.07
Rot. Bonds4

About 1-benzyl-3,4-diphenylpyrrolidine

1-benzyl-3,4-diphenylpyrrolidine (PubChem CID 5136126) has the molecular formula C23H23N and a molecular weight of 313.44 g/mol. Its IUPAC name is 1-benzyl-3,4-diphenylpyrrolidine.

Molecular Properties

Compound Name1-benzyl-3,4-diphenylpyrrolidine
PubChem CID5136126
Molecular FormulaC23H23N
Molecular Weight313.44 g/mol
Exact Mass313.18
IUPAC Name1-benzyl-3,4-diphenylpyrrolidine
SMILESc1ccc(CN2CC(c3ccccc3)C(c3ccccc3)C2)cc1
InChIInChI=1S/C23H23N/c1-4-10-19(11-5-1)16-24-17-22(20-12-6-2-7-13-20)23(18-24)21-14-8-3-9-15-21/h1-15,22-23H,16-18H2
InChIKeyJPSTZYGETAMJNQ-UHFFFAOYSA-N
XLogP5.07
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.44
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-benzyl-4-phenylpyrrolidin-3-ol
CID 12044053
1-benzyl-3-methyl-4-phenylpyrrolidine
CID 3522572
(4S)-1-benzyl-3-methyl-4-phenylpyrrolidine
CID 71104653
(3S,4R)-1-benzyl-4-phenylpyrrolidine-3-carboxylic acid
CID 12922299
(3S,4R)-1-benzyl-N-methyl-4-phenylpyrrolidin-3-amine
CID 59840122
(3S,4R)-N,1-dibenzyl-4-phenylpyrrolidin-3-amine;hydrochloride
CID 73350587
3-benzyl-6-phenyl-3-azabicyclo[3.2.0]heptane
CID 19963621
(3S,4R)-1-benzyl-4-phenylpyrrolidine-3-carboxamide
CID 91662836
1,3-bis[(3R,4S)-1-benzyl-4-phenylpyrrolidin-3-yl]urea
CID 102127410
sodium (3S,4R)-1-benzyl-4-phenylpyrrolidine-3-sulfinate
CID 165454873
[(3R,4R)-1-benzyl-4-phenylpyrrolidin-3-yl]-phenylmethanone
CID 125474288
(3R,4R)-1-benzyl-4-phenylpiperidin-3-ol
CID 54282589

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3,4-diphenylpyrrolidine?
The IUPAC name of 1-benzyl-3,4-diphenylpyrrolidine (CID 5136126) is 1-benzyl-3,4-diphenylpyrrolidine.
What is the SMILES notation for 1-benzyl-3,4-diphenylpyrrolidine?
The canonical SMILES for 1-benzyl-3,4-diphenylpyrrolidine is c1ccc(CN2CC(c3ccccc3)C(c3ccccc3)C2)cc1.
What is the InChIKey of 1-benzyl-3,4-diphenylpyrrolidine?
The InChIKey is JPSTZYGETAMJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N/c1-4-10-19(11-5-1)16-24-17-22(20-12-6-2-7-13-20)23(18-24)21-14-8-3-9-15-21/h1-15,22-23H,16-18H2.
What are the key properties of 1-benzyl-3,4-diphenylpyrrolidine?
1-benzyl-3,4-diphenylpyrrolidine has a molecular weight of 313.44 g/mol, XLogP of 5.07, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3,4-diphenylpyrrolidine is sourced from PubChem (CID 5136126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).