4-benzyl-1-[[1-(2,2-diphenylethyl)piperidin-4-yl]methyl]piperidine

C32H40N2 — CID 56662038

IUPAC4-benzyl-1-[[1-(2,2-diphenylethyl)piperidin-4-yl]methyl]piperidine
SMILESc1ccc(CC2CCN(CC3CCN(CC(c4ccccc4)c4ccccc4)CC3)CC2)cc1
InChIInChI=1S/C32H40N2/c1-4-10-27(11-5-1)24-28-16-20-33(21-17-28)25-29-18-22-34(23-19-29)26-32(30-12-6-2-7-13-30)31-14-8-3-9-15-31/h1-15,28-29,32H,16-26H2
InChIKeyAFYPZCOYFCGBFU-UHFFFAOYSA-N
MW452.69 g/mol
LogP6.49
Rot. Bonds8

About 4-benzyl-1-[[1-(2,2-diphenylethyl)piperidin-4-yl]methyl]piperidine

4-benzyl-1-[[1-(2,2-diphenylethyl)piperidin-4-yl]methyl]piperidine (PubChem CID 56662038) has the molecular formula C32H40N2 and a molecular weight of 452.69 g/mol. Its IUPAC name is 4-benzyl-1-[[1-(2,2-diphenylethyl)piperidin-4-yl]methyl]piperidine.

Molecular Properties

Compound Name4-benzyl-1-[[1-(2,2-diphenylethyl)piperidin-4-yl]methyl]piperidine
PubChem CID56662038
Molecular FormulaC32H40N2
Molecular Weight452.69 g/mol
Exact Mass452.32
IUPAC Name4-benzyl-1-[[1-(2,2-diphenylethyl)piperidin-4-yl]methyl]piperidine
SMILESc1ccc(CC2CCN(CC3CCN(CC(c4ccccc4)c4ccccc4)CC3)CC2)cc1
InChIInChI=1S/C32H40N2/c1-4-10-27(11-5-1)24-28-16-20-33(21-17-28)25-29-18-22-34(23-19-29)26-32(30-12-6-2-7-13-30)31-14-8-3-9-15-31/h1-15,28-29,32H,16-26H2
InChIKeyAFYPZCOYFCGBFU-UHFFFAOYSA-N
XLogP6.49
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.69
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-[[1-(2,2-diphenylethyl)piperidin-4-yl]methyl]piperidine?
The IUPAC name of 4-benzyl-1-[[1-(2,2-diphenylethyl)piperidin-4-yl]methyl]piperidine (CID 56662038) is 4-benzyl-1-[[1-(2,2-diphenylethyl)piperidin-4-yl]methyl]piperidine.
What is the SMILES notation for 4-benzyl-1-[[1-(2,2-diphenylethyl)piperidin-4-yl]methyl]piperidine?
The canonical SMILES for 4-benzyl-1-[[1-(2,2-diphenylethyl)piperidin-4-yl]methyl]piperidine is c1ccc(CC2CCN(CC3CCN(CC(c4ccccc4)c4ccccc4)CC3)CC2)cc1.
What is the InChIKey of 4-benzyl-1-[[1-(2,2-diphenylethyl)piperidin-4-yl]methyl]piperidine?
The InChIKey is AFYPZCOYFCGBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H40N2/c1-4-10-27(11-5-1)24-28-16-20-33(21-17-28)25-29-18-22-34(23-19-29)26-32(30-12-6-2-7-13-30)31-14-8-3-9-15-31/h1-15,28-29,32H,16-26H2.
What are the key properties of 4-benzyl-1-[[1-(2,2-diphenylethyl)piperidin-4-yl]methyl]piperidine?
4-benzyl-1-[[1-(2,2-diphenylethyl)piperidin-4-yl]methyl]piperidine has a molecular weight of 452.69 g/mol, XLogP of 6.49, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-[[1-(2,2-diphenylethyl)piperidin-4-yl]methyl]piperidine is sourced from PubChem (CID 56662038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).