3,5-diphenyl-2-(piperidin-1-ylmethyl)phenol

C24H25NO — CID 140569430

IUPAC3,5-diphenyl-2-(piperidin-1-ylmethyl)phenol
SMILESOc1cc(-c2ccccc2)cc(-c2ccccc2)c1CN1CCCCC1
InChIInChI=1S/C24H25NO/c26-24-17-21(19-10-4-1-5-11-19)16-22(20-12-6-2-7-13-20)23(24)18-25-14-8-3-9-15-25/h1-2,4-7,10-13,16-17,26H,3,8-9,14-15,18H2
InChIKeyAKIKMQCUDCMWPV-UHFFFAOYSA-N
MW343.47 g/mol
LogP5.71
Rot. Bonds4

About 3,5-diphenyl-2-(piperidin-1-ylmethyl)phenol

3,5-diphenyl-2-(piperidin-1-ylmethyl)phenol (PubChem CID 140569430) has the molecular formula C24H25NO and a molecular weight of 343.47 g/mol. Its IUPAC name is 3,5-diphenyl-2-(piperidin-1-ylmethyl)phenol.

Molecular Properties

Compound Name3,5-diphenyl-2-(piperidin-1-ylmethyl)phenol
PubChem CID140569430
Molecular FormulaC24H25NO
Molecular Weight343.47 g/mol
Exact Mass343.19
IUPAC Name3,5-diphenyl-2-(piperidin-1-ylmethyl)phenol
SMILESOc1cc(-c2ccccc2)cc(-c2ccccc2)c1CN1CCCCC1
InChIInChI=1S/C24H25NO/c26-24-17-21(19-10-4-1-5-11-19)16-22(20-12-6-2-7-13-20)23(24)18-25-14-8-3-9-15-25/h1-2,4-7,10-13,16-17,26H,3,8-9,14-15,18H2
InChIKeyAKIKMQCUDCMWPV-UHFFFAOYSA-N
XLogP5.71
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.47
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,5-diphenyl-2-(piperidin-1-ylmethyl)phenol?
The IUPAC name of 3,5-diphenyl-2-(piperidin-1-ylmethyl)phenol (CID 140569430) is 3,5-diphenyl-2-(piperidin-1-ylmethyl)phenol.
What is the SMILES notation for 3,5-diphenyl-2-(piperidin-1-ylmethyl)phenol?
The canonical SMILES for 3,5-diphenyl-2-(piperidin-1-ylmethyl)phenol is Oc1cc(-c2ccccc2)cc(-c2ccccc2)c1CN1CCCCC1.
What is the InChIKey of 3,5-diphenyl-2-(piperidin-1-ylmethyl)phenol?
The InChIKey is AKIKMQCUDCMWPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO/c26-24-17-21(19-10-4-1-5-11-19)16-22(20-12-6-2-7-13-20)23(24)18-25-14-8-3-9-15-25/h1-2,4-7,10-13,16-17,26H,3,8-9,14-15,18H2.
What are the key properties of 3,5-diphenyl-2-(piperidin-1-ylmethyl)phenol?
3,5-diphenyl-2-(piperidin-1-ylmethyl)phenol has a molecular weight of 343.47 g/mol, XLogP of 5.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diphenyl-2-(piperidin-1-ylmethyl)phenol is sourced from PubChem (CID 140569430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).