4-phenyl-1-[(3S,4R)-4-phenylpyrrolidin-3-yl]piperidine

C21H26N2 — CID 102020253

IUPAC4-phenyl-1-[(3S,4R)-4-phenylpyrrolidin-3-yl]piperidine
SMILESc1ccc(C2CCN([C@@H]3CNC[C@H]3c3ccccc3)CC2)cc1
InChIInChI=1S/C21H26N2/c1-3-7-17(8-4-1)18-11-13-23(14-12-18)21-16-22-15-20(21)19-9-5-2-6-10-19/h1-10,18,20-22H,11-16H2/t20-,21+/m0/s1
InChIKeySCFWYVWRHOYJPW-LEWJYISDSA-N
MW306.45 g/mol
LogP3.62
Rot. Bonds3

About 4-phenyl-1-[(3S,4R)-4-phenylpyrrolidin-3-yl]piperidine

4-phenyl-1-[(3S,4R)-4-phenylpyrrolidin-3-yl]piperidine (PubChem CID 102020253) has the molecular formula C21H26N2 and a molecular weight of 306.45 g/mol. Its IUPAC name is 4-phenyl-1-[(3S,4R)-4-phenylpyrrolidin-3-yl]piperidine.

Molecular Properties

Compound Name4-phenyl-1-[(3S,4R)-4-phenylpyrrolidin-3-yl]piperidine
PubChem CID102020253
Molecular FormulaC21H26N2
Molecular Weight306.45 g/mol
Exact Mass306.21
IUPAC Name4-phenyl-1-[(3S,4R)-4-phenylpyrrolidin-3-yl]piperidine
SMILESc1ccc(C2CCN([C@@H]3CNC[C@H]3c3ccccc3)CC2)cc1
InChIInChI=1S/C21H26N2/c1-3-7-17(8-4-1)18-11-13-23(14-12-18)21-16-22-15-20(21)19-9-5-2-6-10-19/h1-10,18,20-22H,11-16H2/t20-,21+/m0/s1
InChIKeySCFWYVWRHOYJPW-LEWJYISDSA-N
XLogP3.62
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methylpyrrolidin-3-yl)-3-phenylpyrrolidine
CID 81458806
1-[(3S,4R)-1,4-diphenylpyrrolidin-3-yl]-4-phenylpiperidine
CID 102020251
trans-(1R,2R)-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol
CID 659840
(8R,9aS)-8-phenyl-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine
CID 126622795
(3S,4R)-4-phenylpyrrolidin-3-ol
CID 25067300
3-methyl-5-(3-phenylpyrrolidin-1-yl)piperidine
CID 115373475
1-cyclodecyl-4-phenylpiperidine;hydrochloride
CID 70215634
trans-(1R,6R)-6-(4-phenylpiperidin-1-yl)-2,3-ditritiocyclohexan-1-ol
CID 73350360
1-fluoro-4-phenylpiperidine
CID 143940552
(3R,4S)-4-phenylpyrrolidin-3-ol;hydrochloride
CID 162341594
1-bromo-4-phenylpiperidine
CID 89020756
benzene;cyclopropylbenzene
CID 144638417

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1-[(3S,4R)-4-phenylpyrrolidin-3-yl]piperidine?
The IUPAC name of 4-phenyl-1-[(3S,4R)-4-phenylpyrrolidin-3-yl]piperidine (CID 102020253) is 4-phenyl-1-[(3S,4R)-4-phenylpyrrolidin-3-yl]piperidine.
What is the SMILES notation for 4-phenyl-1-[(3S,4R)-4-phenylpyrrolidin-3-yl]piperidine?
The canonical SMILES for 4-phenyl-1-[(3S,4R)-4-phenylpyrrolidin-3-yl]piperidine is c1ccc(C2CCN([C@@H]3CNC[C@H]3c3ccccc3)CC2)cc1.
What is the InChIKey of 4-phenyl-1-[(3S,4R)-4-phenylpyrrolidin-3-yl]piperidine?
The InChIKey is SCFWYVWRHOYJPW-LEWJYISDSA-N. The full InChI is InChI=1S/C21H26N2/c1-3-7-17(8-4-1)18-11-13-23(14-12-18)21-16-22-15-20(21)19-9-5-2-6-10-19/h1-10,18,20-22H,11-16H2/t20-,21+/m0/s1.
What are the key properties of 4-phenyl-1-[(3S,4R)-4-phenylpyrrolidin-3-yl]piperidine?
4-phenyl-1-[(3S,4R)-4-phenylpyrrolidin-3-yl]piperidine has a molecular weight of 306.45 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1-[(3S,4R)-4-phenylpyrrolidin-3-yl]piperidine is sourced from PubChem (CID 102020253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).