4-(4-methoxyphenyl)-1-(4-phenylbutyl)piperidine;hydrochloride

C22H30ClNO — CID 10473662

IUPAC4-(4-methoxyphenyl)-1-(4-phenylbutyl)piperidine;hydrochloride
SMILESCOc1ccc(C2CCN(CCCCc3ccccc3)CC2)cc1.Cl
InChIInChI=1S/C22H29NO.ClH/c1-24-22-12-10-20(11-13-22)21-14-17-23(18-15-21)16-6-5-9-19-7-3-2-4-8-19;/h2-4,7-8,10-13,21H,5-6,9,14-18H2,1H3;1H
InChIKeyZIVPPZVHTNOLCK-UHFFFAOYSA-N
MW359.94 g/mol
LogP5.32
Rot. Bonds7

About 4-(4-methoxyphenyl)-1-(4-phenylbutyl)piperidine;hydrochloride

4-(4-methoxyphenyl)-1-(4-phenylbutyl)piperidine;hydrochloride (PubChem CID 10473662) has the molecular formula C22H30ClNO and a molecular weight of 359.94 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-1-(4-phenylbutyl)piperidine;hydrochloride.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-1-(4-phenylbutyl)piperidine;hydrochloride
PubChem CID10473662
Molecular FormulaC22H30ClNO
Molecular Weight359.94 g/mol
Exact Mass359.20
IUPAC Name4-(4-methoxyphenyl)-1-(4-phenylbutyl)piperidine;hydrochloride
SMILESCOc1ccc(C2CCN(CCCCc3ccccc3)CC2)cc1.Cl
InChIInChI=1S/C22H29NO.ClH/c1-24-22-12-10-20(11-13-22)21-14-17-23(18-15-21)16-6-5-9-19-7-3-2-4-8-19;/h2-4,7-8,10-13,21H,5-6,9,14-18H2,1H3;1H
InChIKeyZIVPPZVHTNOLCK-UHFFFAOYSA-N
XLogP5.32
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.94
LogP ≤ 55.32
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 4-(4-methoxyphenyl)-1-(4-phenylbutyl)piperidine;hydrochloride?
The IUPAC name of 4-(4-methoxyphenyl)-1-(4-phenylbutyl)piperidine;hydrochloride (CID 10473662) is 4-(4-methoxyphenyl)-1-(4-phenylbutyl)piperidine;hydrochloride.
What is the SMILES notation for 4-(4-methoxyphenyl)-1-(4-phenylbutyl)piperidine;hydrochloride?
The canonical SMILES for 4-(4-methoxyphenyl)-1-(4-phenylbutyl)piperidine;hydrochloride is COc1ccc(C2CCN(CCCCc3ccccc3)CC2)cc1.Cl.
What is the InChIKey of 4-(4-methoxyphenyl)-1-(4-phenylbutyl)piperidine;hydrochloride?
The InChIKey is ZIVPPZVHTNOLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO.ClH/c1-24-22-12-10-20(11-13-22)21-14-17-23(18-15-21)16-6-5-9-19-7-3-2-4-8-19;/h2-4,7-8,10-13,21H,5-6,9,14-18H2,1H3;1H.
What are the key properties of 4-(4-methoxyphenyl)-1-(4-phenylbutyl)piperidine;hydrochloride?
4-(4-methoxyphenyl)-1-(4-phenylbutyl)piperidine;hydrochloride has a molecular weight of 359.94 g/mol, XLogP of 5.32, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-1-(4-phenylbutyl)piperidine;hydrochloride is sourced from PubChem (CID 10473662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).