1-benzyl-4-(5-phenylpentoxymethyl)piperidine;hydrochloride

C24H34ClNO — CID 45262192

IUPAC1-benzyl-4-(5-phenylpentoxymethyl)piperidine;hydrochloride
SMILESCl.c1ccc(CCCCCOCC2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C24H33NO.ClH/c1-4-10-22(11-5-1)12-8-3-9-19-26-21-24-15-17-25(18-16-24)20-23-13-6-2-7-14-23;/h1-2,4-7,10-11,13-14,24H,3,8-9,12,15-21H2;1H
InChIKeyXLKQXGUGQXPZJR-UHFFFAOYSA-N
MW388.00 g/mol
LogP5.75
Rot. Bonds10

About 1-benzyl-4-(5-phenylpentoxymethyl)piperidine;hydrochloride

1-benzyl-4-(5-phenylpentoxymethyl)piperidine;hydrochloride (PubChem CID 45262192) has the molecular formula C24H34ClNO and a molecular weight of 388.00 g/mol. Its IUPAC name is 1-benzyl-4-(5-phenylpentoxymethyl)piperidine;hydrochloride.

Molecular Properties

Compound Name1-benzyl-4-(5-phenylpentoxymethyl)piperidine;hydrochloride
PubChem CID45262192
Molecular FormulaC24H34ClNO
Molecular Weight388.00 g/mol
Exact Mass387.23
IUPAC Name1-benzyl-4-(5-phenylpentoxymethyl)piperidine;hydrochloride
SMILESCl.c1ccc(CCCCCOCC2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C24H33NO.ClH/c1-4-10-22(11-5-1)12-8-3-9-19-26-21-24-15-17-25(18-16-24)20-23-13-6-2-7-14-23;/h1-2,4-7,10-11,13-14,24H,3,8-9,12,15-21H2;1H
InChIKeyXLKQXGUGQXPZJR-UHFFFAOYSA-N
XLogP5.75
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.00
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(5-phenylpentoxymethyl)piperidine;hydrochloride?
The IUPAC name of 1-benzyl-4-(5-phenylpentoxymethyl)piperidine;hydrochloride (CID 45262192) is 1-benzyl-4-(5-phenylpentoxymethyl)piperidine;hydrochloride.
What is the SMILES notation for 1-benzyl-4-(5-phenylpentoxymethyl)piperidine;hydrochloride?
The canonical SMILES for 1-benzyl-4-(5-phenylpentoxymethyl)piperidine;hydrochloride is Cl.c1ccc(CCCCCOCC2CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of 1-benzyl-4-(5-phenylpentoxymethyl)piperidine;hydrochloride?
The InChIKey is XLKQXGUGQXPZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NO.ClH/c1-4-10-22(11-5-1)12-8-3-9-19-26-21-24-15-17-25(18-16-24)20-23-13-6-2-7-14-23;/h1-2,4-7,10-11,13-14,24H,3,8-9,12,15-21H2;1H.
What are the key properties of 1-benzyl-4-(5-phenylpentoxymethyl)piperidine;hydrochloride?
1-benzyl-4-(5-phenylpentoxymethyl)piperidine;hydrochloride has a molecular weight of 388.00 g/mol, XLogP of 5.75, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(5-phenylpentoxymethyl)piperidine;hydrochloride is sourced from PubChem (CID 45262192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).