4-(benzhydryloxymethyl)-4-phenylpiperidine;hydrochloride

C25H28ClNO — CID 19960235

IUPAC4-(benzhydryloxymethyl)-4-phenylpiperidine;hydrochloride
SMILESCl.c1ccc(C(OCC2(c3ccccc3)CCNCC2)c2ccccc2)cc1
InChIInChI=1S/C25H27NO.ClH/c1-4-10-21(11-5-1)24(22-12-6-2-7-13-22)27-20-25(16-18-26-19-17-25)23-14-8-3-9-15-23;/h1-15,24,26H,16-20H2;1H
InChIKeyRFQFWSVWOBBLNA-UHFFFAOYSA-N
MW393.96 g/mol
LogP5.54
Rot. Bonds6

About 4-(benzhydryloxymethyl)-4-phenylpiperidine;hydrochloride

4-(benzhydryloxymethyl)-4-phenylpiperidine;hydrochloride (PubChem CID 19960235) has the molecular formula C25H28ClNO and a molecular weight of 393.96 g/mol. Its IUPAC name is 4-(benzhydryloxymethyl)-4-phenylpiperidine;hydrochloride.

Molecular Properties

Compound Name4-(benzhydryloxymethyl)-4-phenylpiperidine;hydrochloride
PubChem CID19960235
Molecular FormulaC25H28ClNO
Molecular Weight393.96 g/mol
Exact Mass393.19
IUPAC Name4-(benzhydryloxymethyl)-4-phenylpiperidine;hydrochloride
SMILESCl.c1ccc(C(OCC2(c3ccccc3)CCNCC2)c2ccccc2)cc1
InChIInChI=1S/C25H27NO.ClH/c1-4-10-21(11-5-1)24(22-12-6-2-7-13-22)27-20-25(16-18-26-19-17-25)23-14-8-3-9-15-23;/h1-15,24,26H,16-20H2;1H
InChIKeyRFQFWSVWOBBLNA-UHFFFAOYSA-N
XLogP5.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.96
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(benzhydryloxymethyl)-4-phenylpiperidine;hydrochloride?
The IUPAC name of 4-(benzhydryloxymethyl)-4-phenylpiperidine;hydrochloride (CID 19960235) is 4-(benzhydryloxymethyl)-4-phenylpiperidine;hydrochloride.
What is the SMILES notation for 4-(benzhydryloxymethyl)-4-phenylpiperidine;hydrochloride?
The canonical SMILES for 4-(benzhydryloxymethyl)-4-phenylpiperidine;hydrochloride is Cl.c1ccc(C(OCC2(c3ccccc3)CCNCC2)c2ccccc2)cc1.
What is the InChIKey of 4-(benzhydryloxymethyl)-4-phenylpiperidine;hydrochloride?
The InChIKey is RFQFWSVWOBBLNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO.ClH/c1-4-10-21(11-5-1)24(22-12-6-2-7-13-22)27-20-25(16-18-26-19-17-25)23-14-8-3-9-15-23;/h1-15,24,26H,16-20H2;1H.
What are the key properties of 4-(benzhydryloxymethyl)-4-phenylpiperidine;hydrochloride?
4-(benzhydryloxymethyl)-4-phenylpiperidine;hydrochloride has a molecular weight of 393.96 g/mol, XLogP of 5.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzhydryloxymethyl)-4-phenylpiperidine;hydrochloride is sourced from PubChem (CID 19960235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).