1-[(3S,4R)-1,4-diphenylpyrrolidin-3-yl]-4-phenylpiperidine

C27H30N2 — CID 102020251

IUPAC1-[(3S,4R)-1,4-diphenylpyrrolidin-3-yl]-4-phenylpiperidine
SMILESc1ccc(C2CCN([C@@H]3CN(c4ccccc4)C[C@H]3c3ccccc3)CC2)cc1
InChIInChI=1S/C27H30N2/c1-4-10-22(11-5-1)23-16-18-28(19-17-23)27-21-29(25-14-8-3-9-15-25)20-26(27)24-12-6-2-7-13-24/h1-15,23,26-27H,16-21H2/t26-,27+/m0/s1
InChIKeyMPJKQGXRNMWXDH-RRPNLBNLSA-N
MW382.55 g/mol
LogP5.54
Rot. Bonds4

About 1-[(3S,4R)-1,4-diphenylpyrrolidin-3-yl]-4-phenylpiperidine

1-[(3S,4R)-1,4-diphenylpyrrolidin-3-yl]-4-phenylpiperidine (PubChem CID 102020251) has the molecular formula C27H30N2 and a molecular weight of 382.55 g/mol. Its IUPAC name is 1-[(3S,4R)-1,4-diphenylpyrrolidin-3-yl]-4-phenylpiperidine.

Molecular Properties

Compound Name1-[(3S,4R)-1,4-diphenylpyrrolidin-3-yl]-4-phenylpiperidine
PubChem CID102020251
Molecular FormulaC27H30N2
Molecular Weight382.55 g/mol
Exact Mass382.24
IUPAC Name1-[(3S,4R)-1,4-diphenylpyrrolidin-3-yl]-4-phenylpiperidine
SMILESc1ccc(C2CCN([C@@H]3CN(c4ccccc4)C[C@H]3c3ccccc3)CC2)cc1
InChIInChI=1S/C27H30N2/c1-4-10-22(11-5-1)23-16-18-28(19-17-23)27-21-29(25-14-8-3-9-15-25)20-26(27)24-12-6-2-7-13-24/h1-15,23,26-27H,16-21H2/t26-,27+/m0/s1
InChIKeyMPJKQGXRNMWXDH-RRPNLBNLSA-N
XLogP5.54
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.55
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,4R)-1-(3-iodophenyl)-3-(4-phenylpiperidin-1-yl)piperidin-4-ol
CID 56669479
4-phenyl-1-[(3S,4R)-4-phenylpyrrolidin-3-yl]piperidine
CID 102020253
trans-(1R,2R)-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol
CID 659840
1-phenyl-4-[1-(4-phenylcyclohexyl)piperidin-4-yl]piperazine
CID 1317152
4-phenyl-1-(4-pyrrolidin-1-ylphenyl)piperidine
CID 154349377
1-bromo-4-phenylpiperidine
CID 89020756
(3-chlorophenyl)-[(3R,4S)-3-phenyl-4-(4-phenylpiperidin-1-yl)pyrrolidin-1-yl]methanone
CID 102020263
(3S,4R)-1,4-diphenylpyrrolidine-3-carboxylic acid
CID 162471093
1-cyclodecyl-4-phenylpiperidine;hydrochloride
CID 70215634
(3S)-1-cyclopentyl-3-phenylpyrrolidine
CID 97327940
trans-(1R,6R)-6-(4-phenylpiperidin-1-yl)-2,3-ditritiocyclohexan-1-ol
CID 73350360
1-fluoro-4-phenylpiperidine
CID 143940552

Frequently Asked Questions

What is the IUPAC name of 1-[(3S,4R)-1,4-diphenylpyrrolidin-3-yl]-4-phenylpiperidine?
The IUPAC name of 1-[(3S,4R)-1,4-diphenylpyrrolidin-3-yl]-4-phenylpiperidine (CID 102020251) is 1-[(3S,4R)-1,4-diphenylpyrrolidin-3-yl]-4-phenylpiperidine.
What is the SMILES notation for 1-[(3S,4R)-1,4-diphenylpyrrolidin-3-yl]-4-phenylpiperidine?
The canonical SMILES for 1-[(3S,4R)-1,4-diphenylpyrrolidin-3-yl]-4-phenylpiperidine is c1ccc(C2CCN([C@@H]3CN(c4ccccc4)C[C@H]3c3ccccc3)CC2)cc1.
What is the InChIKey of 1-[(3S,4R)-1,4-diphenylpyrrolidin-3-yl]-4-phenylpiperidine?
The InChIKey is MPJKQGXRNMWXDH-RRPNLBNLSA-N. The full InChI is InChI=1S/C27H30N2/c1-4-10-22(11-5-1)23-16-18-28(19-17-23)27-21-29(25-14-8-3-9-15-25)20-26(27)24-12-6-2-7-13-24/h1-15,23,26-27H,16-21H2/t26-,27+/m0/s1.
What are the key properties of 1-[(3S,4R)-1,4-diphenylpyrrolidin-3-yl]-4-phenylpiperidine?
1-[(3S,4R)-1,4-diphenylpyrrolidin-3-yl]-4-phenylpiperidine has a molecular weight of 382.55 g/mol, XLogP of 5.54, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S,4R)-1,4-diphenylpyrrolidin-3-yl]-4-phenylpiperidine is sourced from PubChem (CID 102020251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).