4-benzyl-1-[(5,5-diphenyloxolan-2-yl)methyl]piperidine

C29H33NO — CID 127027195

IUPAC4-benzyl-1-[(5,5-diphenyloxolan-2-yl)methyl]piperidine
SMILESc1ccc(CC2CCN(CC3CCC(c4ccccc4)(c4ccccc4)O3)CC2)cc1
InChIInChI=1S/C29H33NO/c1-4-10-24(11-5-1)22-25-17-20-30(21-18-25)23-28-16-19-29(31-28,26-12-6-2-7-13-26)27-14-8-3-9-15-27/h1-15,25,28H,16-23H2
InChIKeyBJDXGMTWLRAACB-UHFFFAOYSA-N
MW411.59 g/mol
LogP6.06
Rot. Bonds6

About 4-benzyl-1-[(5,5-diphenyloxolan-2-yl)methyl]piperidine

4-benzyl-1-[(5,5-diphenyloxolan-2-yl)methyl]piperidine (PubChem CID 127027195) has the molecular formula C29H33NO and a molecular weight of 411.59 g/mol. Its IUPAC name is 4-benzyl-1-[(5,5-diphenyloxolan-2-yl)methyl]piperidine.

Molecular Properties

Compound Name4-benzyl-1-[(5,5-diphenyloxolan-2-yl)methyl]piperidine
PubChem CID127027195
Molecular FormulaC29H33NO
Molecular Weight411.59 g/mol
Exact Mass411.26
IUPAC Name4-benzyl-1-[(5,5-diphenyloxolan-2-yl)methyl]piperidine
SMILESc1ccc(CC2CCN(CC3CCC(c4ccccc4)(c4ccccc4)O3)CC2)cc1
InChIInChI=1S/C29H33NO/c1-4-10-24(11-5-1)22-25-17-20-30(21-18-25)23-28-16-19-29(31-28,26-12-6-2-7-13-26)27-14-8-3-9-15-27/h1-15,25,28H,16-23H2
InChIKeyBJDXGMTWLRAACB-UHFFFAOYSA-N
XLogP6.06
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.59
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-[(5,5-diphenyloxolan-2-yl)methyl]piperidine?
The IUPAC name of 4-benzyl-1-[(5,5-diphenyloxolan-2-yl)methyl]piperidine (CID 127027195) is 4-benzyl-1-[(5,5-diphenyloxolan-2-yl)methyl]piperidine.
What is the SMILES notation for 4-benzyl-1-[(5,5-diphenyloxolan-2-yl)methyl]piperidine?
The canonical SMILES for 4-benzyl-1-[(5,5-diphenyloxolan-2-yl)methyl]piperidine is c1ccc(CC2CCN(CC3CCC(c4ccccc4)(c4ccccc4)O3)CC2)cc1.
What is the InChIKey of 4-benzyl-1-[(5,5-diphenyloxolan-2-yl)methyl]piperidine?
The InChIKey is BJDXGMTWLRAACB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33NO/c1-4-10-24(11-5-1)22-25-17-20-30(21-18-25)23-28-16-19-29(31-28,26-12-6-2-7-13-26)27-14-8-3-9-15-27/h1-15,25,28H,16-23H2.
What are the key properties of 4-benzyl-1-[(5,5-diphenyloxolan-2-yl)methyl]piperidine?
4-benzyl-1-[(5,5-diphenyloxolan-2-yl)methyl]piperidine has a molecular weight of 411.59 g/mol, XLogP of 6.06, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-[(5,5-diphenyloxolan-2-yl)methyl]piperidine is sourced from PubChem (CID 127027195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).