[1-[4-(4-methylphenyl)butyl]piperidin-4-yl]-diphenylmethanol

C29H35NO — CID 44622872

IUPAC[1-[4-(4-methylphenyl)butyl]piperidin-4-yl]-diphenylmethanol
SMILESCc1ccc(CCCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C29H35NO/c1-24-15-17-25(18-16-24)10-8-9-21-30-22-19-28(20-23-30)29(31,26-11-4-2-5-12-26)27-13-6-3-7-14-27/h2-7,11-18,28,31H,8-10,19-23H2,1H3
InChIKeyVFCNPRIWDSWJIG-UHFFFAOYSA-N
MW413.61 g/mol
LogP5.97
Rot. Bonds8

About [1-[4-(4-methylphenyl)butyl]piperidin-4-yl]-diphenylmethanol

[1-[4-(4-methylphenyl)butyl]piperidin-4-yl]-diphenylmethanol (PubChem CID 44622872) has the molecular formula C29H35NO and a molecular weight of 413.61 g/mol. Its IUPAC name is [1-[4-(4-methylphenyl)butyl]piperidin-4-yl]-diphenylmethanol.

Molecular Properties

Compound Name[1-[4-(4-methylphenyl)butyl]piperidin-4-yl]-diphenylmethanol
PubChem CID44622872
Molecular FormulaC29H35NO
Molecular Weight413.61 g/mol
Exact Mass413.27
IUPAC Name[1-[4-(4-methylphenyl)butyl]piperidin-4-yl]-diphenylmethanol
SMILESCc1ccc(CCCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C29H35NO/c1-24-15-17-25(18-16-24)10-8-9-21-30-22-19-28(20-23-30)29(31,26-11-4-2-5-12-26)27-13-6-3-7-14-27/h2-7,11-18,28,31H,8-10,19-23H2,1H3
InChIKeyVFCNPRIWDSWJIG-UHFFFAOYSA-N
XLogP5.97
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.61
LogP ≤ 55.97
H-Bond Donors ≤ 51
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-[4-(4-methylphenyl)butyl]piperidin-4-yl]-diphenylmethanol?
The IUPAC name of [1-[4-(4-methylphenyl)butyl]piperidin-4-yl]-diphenylmethanol (CID 44622872) is [1-[4-(4-methylphenyl)butyl]piperidin-4-yl]-diphenylmethanol.
What is the SMILES notation for [1-[4-(4-methylphenyl)butyl]piperidin-4-yl]-diphenylmethanol?
The canonical SMILES for [1-[4-(4-methylphenyl)butyl]piperidin-4-yl]-diphenylmethanol is Cc1ccc(CCCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1.
What is the InChIKey of [1-[4-(4-methylphenyl)butyl]piperidin-4-yl]-diphenylmethanol?
The InChIKey is VFCNPRIWDSWJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35NO/c1-24-15-17-25(18-16-24)10-8-9-21-30-22-19-28(20-23-30)29(31,26-11-4-2-5-12-26)27-13-6-3-7-14-27/h2-7,11-18,28,31H,8-10,19-23H2,1H3.
What are the key properties of [1-[4-(4-methylphenyl)butyl]piperidin-4-yl]-diphenylmethanol?
[1-[4-(4-methylphenyl)butyl]piperidin-4-yl]-diphenylmethanol has a molecular weight of 413.61 g/mol, XLogP of 5.97, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(4-methylphenyl)butyl]piperidin-4-yl]-diphenylmethanol is sourced from PubChem (CID 44622872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).