4-(benzhydryloxymethyl)-1-(2-phenylethyl)piperidine

C27H31NO — CID 10524156

IUPAC4-(benzhydryloxymethyl)-1-(2-phenylethyl)piperidine
SMILESc1ccc(CCN2CCC(COC(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C27H31NO/c1-4-10-23(11-5-1)16-19-28-20-17-24(18-21-28)22-29-27(25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-15,24,27H,16-22H2
InChIKeyRSRBUOLGPJDXFA-UHFFFAOYSA-N
MW385.55 g/mol
LogP5.75
Rot. Bonds8

About 4-(benzhydryloxymethyl)-1-(2-phenylethyl)piperidine

4-(benzhydryloxymethyl)-1-(2-phenylethyl)piperidine (PubChem CID 10524156) has the molecular formula C27H31NO and a molecular weight of 385.55 g/mol. Its IUPAC name is 4-(benzhydryloxymethyl)-1-(2-phenylethyl)piperidine.

Molecular Properties

Compound Name4-(benzhydryloxymethyl)-1-(2-phenylethyl)piperidine
PubChem CID10524156
Molecular FormulaC27H31NO
Molecular Weight385.55 g/mol
Exact Mass385.24
IUPAC Name4-(benzhydryloxymethyl)-1-(2-phenylethyl)piperidine
SMILESc1ccc(CCN2CCC(COC(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C27H31NO/c1-4-10-23(11-5-1)16-19-28-20-17-24(18-21-28)22-29-27(25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-15,24,27H,16-22H2
InChIKeyRSRBUOLGPJDXFA-UHFFFAOYSA-N
XLogP5.75
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.55
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(benzhydryloxymethyl)-1-(2-phenylethyl)piperidine?
The IUPAC name of 4-(benzhydryloxymethyl)-1-(2-phenylethyl)piperidine (CID 10524156) is 4-(benzhydryloxymethyl)-1-(2-phenylethyl)piperidine.
What is the SMILES notation for 4-(benzhydryloxymethyl)-1-(2-phenylethyl)piperidine?
The canonical SMILES for 4-(benzhydryloxymethyl)-1-(2-phenylethyl)piperidine is c1ccc(CCN2CCC(COC(c3ccccc3)c3ccccc3)CC2)cc1.
What is the InChIKey of 4-(benzhydryloxymethyl)-1-(2-phenylethyl)piperidine?
The InChIKey is RSRBUOLGPJDXFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31NO/c1-4-10-23(11-5-1)16-19-28-20-17-24(18-21-28)22-29-27(25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-15,24,27H,16-22H2.
What are the key properties of 4-(benzhydryloxymethyl)-1-(2-phenylethyl)piperidine?
4-(benzhydryloxymethyl)-1-(2-phenylethyl)piperidine has a molecular weight of 385.55 g/mol, XLogP of 5.75, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzhydryloxymethyl)-1-(2-phenylethyl)piperidine is sourced from PubChem (CID 10524156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).