4-[6-(4-benzylpiperidin-1-yl)-4-phenyl-2-pyridinyl]-2-methylphenol

C30H30N2O — CID 135515561

IUPAC4-[6-(4-benzylpiperidin-1-yl)-4-phenyl-2-pyridinyl]-2-methylphenol
SMILESCc1cc(-c2cc(-c3ccccc3)cc(N3CCC(Cc4ccccc4)CC3)n2)ccc1O
InChIInChI=1S/C30H30N2O/c1-22-18-26(12-13-29(22)33)28-20-27(25-10-6-3-7-11-25)21-30(31-28)32-16-14-24(15-17-32)19-23-8-4-2-5-9-23/h2-13,18,20-21,24,33H,14-17,19H2,1H3
InChIKeyHDMUCANUXXXLNX-UHFFFAOYSA-N
MW434.58 g/mol
LogP6.89
Rot. Bonds5

About 4-[6-(4-benzylpiperidin-1-yl)-4-phenyl-2-pyridinyl]-2-methylphenol

4-[6-(4-benzylpiperidin-1-yl)-4-phenyl-2-pyridinyl]-2-methylphenol (PubChem CID 135515561) has the molecular formula C30H30N2O and a molecular weight of 434.58 g/mol. Its IUPAC name is 4-[6-(4-benzylpiperidin-1-yl)-4-phenyl-2-pyridinyl]-2-methylphenol.

Molecular Properties

Compound Name4-[6-(4-benzylpiperidin-1-yl)-4-phenyl-2-pyridinyl]-2-methylphenol
PubChem CID135515561
Molecular FormulaC30H30N2O
Molecular Weight434.58 g/mol
Exact Mass434.24
IUPAC Name4-[6-(4-benzylpiperidin-1-yl)-4-phenyl-2-pyridinyl]-2-methylphenol
SMILESCc1cc(-c2cc(-c3ccccc3)cc(N3CCC(Cc4ccccc4)CC3)n2)ccc1O
InChIInChI=1S/C30H30N2O/c1-22-18-26(12-13-29(22)33)28-20-27(25-10-6-3-7-11-25)21-30(31-28)32-16-14-24(15-17-32)19-23-8-4-2-5-9-23/h2-13,18,20-21,24,33H,14-17,19H2,1H3
InChIKeyHDMUCANUXXXLNX-UHFFFAOYSA-N
XLogP6.89
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.58
LogP ≤ 56.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-benzylpiperidin-1-yl)-4-phenyl-2-pyridinyl]-2-methylphenol?
The IUPAC name of 4-[6-(4-benzylpiperidin-1-yl)-4-phenyl-2-pyridinyl]-2-methylphenol (CID 135515561) is 4-[6-(4-benzylpiperidin-1-yl)-4-phenyl-2-pyridinyl]-2-methylphenol.
What is the SMILES notation for 4-[6-(4-benzylpiperidin-1-yl)-4-phenyl-2-pyridinyl]-2-methylphenol?
The canonical SMILES for 4-[6-(4-benzylpiperidin-1-yl)-4-phenyl-2-pyridinyl]-2-methylphenol is Cc1cc(-c2cc(-c3ccccc3)cc(N3CCC(Cc4ccccc4)CC3)n2)ccc1O.
What is the InChIKey of 4-[6-(4-benzylpiperidin-1-yl)-4-phenyl-2-pyridinyl]-2-methylphenol?
The InChIKey is HDMUCANUXXXLNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N2O/c1-22-18-26(12-13-29(22)33)28-20-27(25-10-6-3-7-11-25)21-30(31-28)32-16-14-24(15-17-32)19-23-8-4-2-5-9-23/h2-13,18,20-21,24,33H,14-17,19H2,1H3.
What are the key properties of 4-[6-(4-benzylpiperidin-1-yl)-4-phenyl-2-pyridinyl]-2-methylphenol?
4-[6-(4-benzylpiperidin-1-yl)-4-phenyl-2-pyridinyl]-2-methylphenol has a molecular weight of 434.58 g/mol, XLogP of 6.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-benzylpiperidin-1-yl)-4-phenyl-2-pyridinyl]-2-methylphenol is sourced from PubChem (CID 135515561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).