[1-[[4-(furan-2-yl)phenyl]methyl]piperidin-4-yl]-diphenylmethanol

C29H29NO2 — CID 118717675

IUPAC[1-[[4-(furan-2-yl)phenyl]methyl]piperidin-4-yl]-diphenylmethanol
SMILESOC(c1ccccc1)(c1ccccc1)C1CCN(Cc2ccc(-c3ccco3)cc2)CC1
InChIInChI=1S/C29H29NO2/c31-29(25-8-3-1-4-9-25,26-10-5-2-6-11-26)27-17-19-30(20-18-27)22-23-13-15-24(16-14-23)28-12-7-21-32-28/h1-16,21,27,31H,17-20,22H2
InChIKeyAGDHILUENWMJFY-UHFFFAOYSA-N
MW423.56 g/mol
LogP6.09
Rot. Bonds6

About [1-[[4-(furan-2-yl)phenyl]methyl]piperidin-4-yl]-diphenylmethanol

[1-[[4-(furan-2-yl)phenyl]methyl]piperidin-4-yl]-diphenylmethanol (PubChem CID 118717675) has the molecular formula C29H29NO2 and a molecular weight of 423.56 g/mol. Its IUPAC name is [1-[[4-(furan-2-yl)phenyl]methyl]piperidin-4-yl]-diphenylmethanol.

Molecular Properties

Compound Name[1-[[4-(furan-2-yl)phenyl]methyl]piperidin-4-yl]-diphenylmethanol
PubChem CID118717675
Molecular FormulaC29H29NO2
Molecular Weight423.56 g/mol
Exact Mass423.22
IUPAC Name[1-[[4-(furan-2-yl)phenyl]methyl]piperidin-4-yl]-diphenylmethanol
SMILESOC(c1ccccc1)(c1ccccc1)C1CCN(Cc2ccc(-c3ccco3)cc2)CC1
InChIInChI=1S/C29H29NO2/c31-29(25-8-3-1-4-9-25,26-10-5-2-6-11-26)27-17-19-30(20-18-27)22-23-13-15-24(16-14-23)28-12-7-21-32-28/h1-16,21,27,31H,17-20,22H2
InChIKeyAGDHILUENWMJFY-UHFFFAOYSA-N
XLogP6.09
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.56
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[[4-(furan-2-yl)phenyl]methyl]piperidin-4-yl]-diphenylmethanol?
The IUPAC name of [1-[[4-(furan-2-yl)phenyl]methyl]piperidin-4-yl]-diphenylmethanol (CID 118717675) is [1-[[4-(furan-2-yl)phenyl]methyl]piperidin-4-yl]-diphenylmethanol.
What is the SMILES notation for [1-[[4-(furan-2-yl)phenyl]methyl]piperidin-4-yl]-diphenylmethanol?
The canonical SMILES for [1-[[4-(furan-2-yl)phenyl]methyl]piperidin-4-yl]-diphenylmethanol is OC(c1ccccc1)(c1ccccc1)C1CCN(Cc2ccc(-c3ccco3)cc2)CC1.
What is the InChIKey of [1-[[4-(furan-2-yl)phenyl]methyl]piperidin-4-yl]-diphenylmethanol?
The InChIKey is AGDHILUENWMJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29NO2/c31-29(25-8-3-1-4-9-25,26-10-5-2-6-11-26)27-17-19-30(20-18-27)22-23-13-15-24(16-14-23)28-12-7-21-32-28/h1-16,21,27,31H,17-20,22H2.
What are the key properties of [1-[[4-(furan-2-yl)phenyl]methyl]piperidin-4-yl]-diphenylmethanol?
[1-[[4-(furan-2-yl)phenyl]methyl]piperidin-4-yl]-diphenylmethanol has a molecular weight of 423.56 g/mol, XLogP of 6.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[4-(furan-2-yl)phenyl]methyl]piperidin-4-yl]-diphenylmethanol is sourced from PubChem (CID 118717675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).