4-(benzhydryloxymethyl)-1-benzylpiperidine

C26H29NO — CID 10761755

IUPAC4-(benzhydryloxymethyl)-1-benzylpiperidine
SMILESc1ccc(CN2CCC(COC(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C26H29NO/c1-4-10-22(11-5-1)20-27-18-16-23(17-19-27)21-28-26(24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-15,23,26H,16-21H2
InChIKeyDBTLGQPWNTVROW-UHFFFAOYSA-N
MW371.52 g/mol
LogP5.70
Rot. Bonds7

About 4-(benzhydryloxymethyl)-1-benzylpiperidine

4-(benzhydryloxymethyl)-1-benzylpiperidine (PubChem CID 10761755) has the molecular formula C26H29NO and a molecular weight of 371.52 g/mol. Its IUPAC name is 4-(benzhydryloxymethyl)-1-benzylpiperidine.

Molecular Properties

Compound Name4-(benzhydryloxymethyl)-1-benzylpiperidine
PubChem CID10761755
Molecular FormulaC26H29NO
Molecular Weight371.52 g/mol
Exact Mass371.22
IUPAC Name4-(benzhydryloxymethyl)-1-benzylpiperidine
SMILESc1ccc(CN2CCC(COC(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C26H29NO/c1-4-10-22(11-5-1)20-27-18-16-23(17-19-27)21-28-26(24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-15,23,26H,16-21H2
InChIKeyDBTLGQPWNTVROW-UHFFFAOYSA-N
XLogP5.70
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.52
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(benzhydryloxymethyl)-1-benzylpiperidine?
The IUPAC name of 4-(benzhydryloxymethyl)-1-benzylpiperidine (CID 10761755) is 4-(benzhydryloxymethyl)-1-benzylpiperidine.
What is the SMILES notation for 4-(benzhydryloxymethyl)-1-benzylpiperidine?
The canonical SMILES for 4-(benzhydryloxymethyl)-1-benzylpiperidine is c1ccc(CN2CCC(COC(c3ccccc3)c3ccccc3)CC2)cc1.
What is the InChIKey of 4-(benzhydryloxymethyl)-1-benzylpiperidine?
The InChIKey is DBTLGQPWNTVROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NO/c1-4-10-22(11-5-1)20-27-18-16-23(17-19-27)21-28-26(24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-15,23,26H,16-21H2.
What are the key properties of 4-(benzhydryloxymethyl)-1-benzylpiperidine?
4-(benzhydryloxymethyl)-1-benzylpiperidine has a molecular weight of 371.52 g/mol, XLogP of 5.70, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzhydryloxymethyl)-1-benzylpiperidine is sourced from PubChem (CID 10761755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).