1-[(1-benzyl-4-phenylpyrrolidin-3-yl)methyl]-4-phenylpiperidine

C29H34N2 — CID 22116082

IUPAC1-[(1-benzyl-4-phenylpyrrolidin-3-yl)methyl]-4-phenylpiperidine
SMILESc1ccc(CN2CC(CN3CCC(c4ccccc4)CC3)C(c3ccccc3)C2)cc1
InChIInChI=1S/C29H34N2/c1-4-10-24(11-5-1)20-31-22-28(29(23-31)27-14-8-3-9-15-27)21-30-18-16-26(17-19-30)25-12-6-2-7-13-25/h1-15,26,28-29H,16-23H2
InChIKeyUBLXYTLHCHAYRI-UHFFFAOYSA-N
MW410.61 g/mol
LogP5.78
Rot. Bonds6

About 1-[(1-benzyl-4-phenylpyrrolidin-3-yl)methyl]-4-phenylpiperidine

1-[(1-benzyl-4-phenylpyrrolidin-3-yl)methyl]-4-phenylpiperidine (PubChem CID 22116082) has the molecular formula C29H34N2 and a molecular weight of 410.61 g/mol. Its IUPAC name is 1-[(1-benzyl-4-phenylpyrrolidin-3-yl)methyl]-4-phenylpiperidine.

Molecular Properties

Compound Name1-[(1-benzyl-4-phenylpyrrolidin-3-yl)methyl]-4-phenylpiperidine
PubChem CID22116082
Molecular FormulaC29H34N2
Molecular Weight410.61 g/mol
Exact Mass410.27
IUPAC Name1-[(1-benzyl-4-phenylpyrrolidin-3-yl)methyl]-4-phenylpiperidine
SMILESc1ccc(CN2CC(CN3CCC(c4ccccc4)CC3)C(c3ccccc3)C2)cc1
InChIInChI=1S/C29H34N2/c1-4-10-24(11-5-1)20-31-22-28(29(23-31)27-14-8-3-9-15-27)21-30-18-16-26(17-19-30)25-12-6-2-7-13-25/h1-15,26,28-29H,16-23H2
InChIKeyUBLXYTLHCHAYRI-UHFFFAOYSA-N
XLogP5.78
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.61
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(1-benzyl-4-phenylpyrrolidin-3-yl)methyl]-1,2,4,5-tetrahydro-3-benzazepine
CID 70273689
1-[[(3R)-1-benzyl-4-thiophen-3-ylpyrrolidin-3-yl]methyl]-4-(4-fluorophenyl)piperidine
CID 142015423
1-benzyl-N-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-3-amine
CID 11661832
1-benzyl-3-(4-fluorophenyl)-4-(pyrrolidin-1-ylmethyl)pyrrolidine
CID 42863539
2-[(1-benzyl-4-phenylpyrrolidin-3-yl)methyl]-3,4-dihydro-1H-isoquinoline
CID 70274207
ethyl 1-[(1-benzyl-4-phenylpyrrolidin-3-yl)methyl]piperidine-4-carboxylate
CID 70200252
[1-benzyl-4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyrrolidin-3-yl]methanol
CID 18723469
1-benzyl-3,4-diphenylpyrrolidine
CID 5136126
furan-2-yl-[3-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 70200803
1-[(1-benzyl-4-phenylpyrrolidin-3-yl)methyl]-4-phenyl-3,6-dihydro-2H-pyridine
CID 70272863
4-phenyl-1-[(2-phenylcyclopentyl)methyl]piperidine
CID 70259114
1-[(1-benzylpyrrolidin-3-yl)methyl]-4-phenylpiperidine;thiophene
CID 142015532

Frequently Asked Questions

What is the IUPAC name of 1-[(1-benzyl-4-phenylpyrrolidin-3-yl)methyl]-4-phenylpiperidine?
The IUPAC name of 1-[(1-benzyl-4-phenylpyrrolidin-3-yl)methyl]-4-phenylpiperidine (CID 22116082) is 1-[(1-benzyl-4-phenylpyrrolidin-3-yl)methyl]-4-phenylpiperidine.
What is the SMILES notation for 1-[(1-benzyl-4-phenylpyrrolidin-3-yl)methyl]-4-phenylpiperidine?
The canonical SMILES for 1-[(1-benzyl-4-phenylpyrrolidin-3-yl)methyl]-4-phenylpiperidine is c1ccc(CN2CC(CN3CCC(c4ccccc4)CC3)C(c3ccccc3)C2)cc1.
What is the InChIKey of 1-[(1-benzyl-4-phenylpyrrolidin-3-yl)methyl]-4-phenylpiperidine?
The InChIKey is UBLXYTLHCHAYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N2/c1-4-10-24(11-5-1)20-31-22-28(29(23-31)27-14-8-3-9-15-27)21-30-18-16-26(17-19-30)25-12-6-2-7-13-25/h1-15,26,28-29H,16-23H2.
What are the key properties of 1-[(1-benzyl-4-phenylpyrrolidin-3-yl)methyl]-4-phenylpiperidine?
1-[(1-benzyl-4-phenylpyrrolidin-3-yl)methyl]-4-phenylpiperidine has a molecular weight of 410.61 g/mol, XLogP of 5.78, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-benzyl-4-phenylpyrrolidin-3-yl)methyl]-4-phenylpiperidine is sourced from PubChem (CID 22116082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).