4-(4,4,4-triphenyl-1-piperidin-4-ylbutyl)phenol;hydrochloride

C33H36ClNO — CID 70621006

IUPAC4-(4,4,4-triphenyl-1-piperidin-4-ylbutyl)phenol;hydrochloride
SMILESCl.Oc1ccc(C(CCC(c2ccccc2)(c2ccccc2)c2ccccc2)C2CCNCC2)cc1
InChIInChI=1S/C33H35NO.ClH/c35-31-18-16-26(17-19-31)32(27-21-24-34-25-22-27)20-23-33(28-10-4-1-5-11-28,29-12-6-2-7-13-29)30-14-8-3-9-15-30;/h1-19,27,32,34-35H,20-25H2;1H
InChIKeyOGDWWTALPCDXMQ-UHFFFAOYSA-N
MW498.11 g/mol
LogP7.71
Rot. Bonds8

About 4-(4,4,4-triphenyl-1-piperidin-4-ylbutyl)phenol;hydrochloride

4-(4,4,4-triphenyl-1-piperidin-4-ylbutyl)phenol;hydrochloride (PubChem CID 70621006) has the molecular formula C33H36ClNO and a molecular weight of 498.11 g/mol. Its IUPAC name is 4-(4,4,4-triphenyl-1-piperidin-4-ylbutyl)phenol;hydrochloride.

Molecular Properties

Compound Name4-(4,4,4-triphenyl-1-piperidin-4-ylbutyl)phenol;hydrochloride
PubChem CID70621006
Molecular FormulaC33H36ClNO
Molecular Weight498.11 g/mol
Exact Mass497.25
IUPAC Name4-(4,4,4-triphenyl-1-piperidin-4-ylbutyl)phenol;hydrochloride
SMILESCl.Oc1ccc(C(CCC(c2ccccc2)(c2ccccc2)c2ccccc2)C2CCNCC2)cc1
InChIInChI=1S/C33H35NO.ClH/c35-31-18-16-26(17-19-31)32(27-21-24-34-25-22-27)20-23-33(28-10-4-1-5-11-28,29-12-6-2-7-13-29)30-14-8-3-9-15-30;/h1-19,27,32,34-35H,20-25H2;1H
InChIKeyOGDWWTALPCDXMQ-UHFFFAOYSA-N
XLogP7.71
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.11
LogP ≤ 57.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

2-phenyl-2-piperidin-4-ylethanol
CID 67125295
2-phenyl-2-piperidin-4-ylethanamine;hydrochloride
CID 67691179
4-[1-(4-fluorophenyl)propyl]piperidine;hydrochloride
CID 175461872
4-(1-cyclobutyl-3-hydroxypropyl)phenol
CID 115024794
4-(1-fluoro-2-piperidin-4-ylethyl)phenol
CID 105480837
3-cyclopropyl-3-phenylpropan-1-ol
CID 19754835
4-[(1R)-2-cyclopropyl-1-piperazin-1-ylethyl]phenol;dihydrochloride
CID 171285197
2-piperidin-4-yl-2-(4-propylphenyl)ethanol
CID 116825146
4-[(S)-phenyl-[4-(trifluoromethyl)phenyl]methyl]piperidine
CID 124514391
1-piperidin-4-ylethyl 2-hydroxy-2,2-diphenylacetate
CID 67195129
3-cyclopentyl-3-phenylpropan-1-ol
CID 57047034
4-[(R)-cyclopentyl(piperazin-1-yl)methyl]phenol;dihydrochloride
CID 171285185

Frequently Asked Questions

What is the IUPAC name of 4-(4,4,4-triphenyl-1-piperidin-4-ylbutyl)phenol;hydrochloride?
The IUPAC name of 4-(4,4,4-triphenyl-1-piperidin-4-ylbutyl)phenol;hydrochloride (CID 70621006) is 4-(4,4,4-triphenyl-1-piperidin-4-ylbutyl)phenol;hydrochloride.
What is the SMILES notation for 4-(4,4,4-triphenyl-1-piperidin-4-ylbutyl)phenol;hydrochloride?
The canonical SMILES for 4-(4,4,4-triphenyl-1-piperidin-4-ylbutyl)phenol;hydrochloride is Cl.Oc1ccc(C(CCC(c2ccccc2)(c2ccccc2)c2ccccc2)C2CCNCC2)cc1.
What is the InChIKey of 4-(4,4,4-triphenyl-1-piperidin-4-ylbutyl)phenol;hydrochloride?
The InChIKey is OGDWWTALPCDXMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H35NO.ClH/c35-31-18-16-26(17-19-31)32(27-21-24-34-25-22-27)20-23-33(28-10-4-1-5-11-28,29-12-6-2-7-13-29)30-14-8-3-9-15-30;/h1-19,27,32,34-35H,20-25H2;1H.
What are the key properties of 4-(4,4,4-triphenyl-1-piperidin-4-ylbutyl)phenol;hydrochloride?
4-(4,4,4-triphenyl-1-piperidin-4-ylbutyl)phenol;hydrochloride has a molecular weight of 498.11 g/mol, XLogP of 7.71, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4,4-triphenyl-1-piperidin-4-ylbutyl)phenol;hydrochloride is sourced from PubChem (CID 70621006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).