2-[(4-phenylpiperidin-1-yl)methyl]-4-pyridin-2-ylphenol

C23H24N2O — CID 135906345

IUPAC2-[(4-phenylpiperidin-1-yl)methyl]-4-pyridin-2-ylphenol
SMILESOc1ccc(-c2ccccn2)cc1CN1CCC(c2ccccc2)CC1
InChIInChI=1S/C23H24N2O/c26-23-10-9-20(22-8-4-5-13-24-22)16-21(23)17-25-14-11-19(12-15-25)18-6-2-1-3-7-18/h1-10,13,16,19,26H,11-12,14-15,17H2
InChIKeySMIBHAIRRPEWBE-UHFFFAOYSA-N
MW344.46 g/mol
LogP4.83
Rot. Bonds4

About 2-[(4-phenylpiperidin-1-yl)methyl]-4-pyridin-2-ylphenol

2-[(4-phenylpiperidin-1-yl)methyl]-4-pyridin-2-ylphenol (PubChem CID 135906345) has the molecular formula C23H24N2O and a molecular weight of 344.46 g/mol. Its IUPAC name is 2-[(4-phenylpiperidin-1-yl)methyl]-4-pyridin-2-ylphenol.

Molecular Properties

Compound Name2-[(4-phenylpiperidin-1-yl)methyl]-4-pyridin-2-ylphenol
PubChem CID135906345
Molecular FormulaC23H24N2O
Molecular Weight344.46 g/mol
Exact Mass344.19
IUPAC Name2-[(4-phenylpiperidin-1-yl)methyl]-4-pyridin-2-ylphenol
SMILESOc1ccc(-c2ccccn2)cc1CN1CCC(c2ccccc2)CC1
InChIInChI=1S/C23H24N2O/c26-23-10-9-20(22-8-4-5-13-24-22)16-21(23)17-25-14-11-19(12-15-25)18-6-2-1-3-7-18/h1-10,13,16,19,26H,11-12,14-15,17H2
InChIKeySMIBHAIRRPEWBE-UHFFFAOYSA-N
XLogP4.83
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4,4'-Dihydroxydiphenyl(2-pyridyl)methane
CID 69046
NoName_714
CID 135489221
CU-CPT9b
CID 135567366
3-[5-(3-Hydroxyphenyl)pyridin-2-yl]phenol
CID 25093398
3-Fluoro-4''-(1-(pyridin-4-yl)propyl)biphenyl-4-ol
CID 46854606
2,6-Difluoro-4-[4-[4-(4-methylpiperazin-1-yl)phenyl]pyridin-3-yl]phenol
CID 73010393
3-(2,4-Dihydroxybenzylidene)anabaseine
CID 135461178
4-[2-(2-Pyridinyl)ethyl]phenol
CID 279650
alpha,alpha-Diphenyl-2-pyridineethanol
CID 234268
4-(Pyridin-2-ylmethyl)phenol
CID 603599
Alpha-(2-pyridylmethylene)-O-cresol
CID 642844
2-Fluoro-4-[5-(pyridin-4-yl)-7,8-dihydronaphthalen-2-yl]phenol
CID 25033805

Frequently Asked Questions

What is the IUPAC name of 2-[(4-phenylpiperidin-1-yl)methyl]-4-pyridin-2-ylphenol?
The IUPAC name of 2-[(4-phenylpiperidin-1-yl)methyl]-4-pyridin-2-ylphenol (CID 135906345) is 2-[(4-phenylpiperidin-1-yl)methyl]-4-pyridin-2-ylphenol.
What is the SMILES notation for 2-[(4-phenylpiperidin-1-yl)methyl]-4-pyridin-2-ylphenol?
The canonical SMILES for 2-[(4-phenylpiperidin-1-yl)methyl]-4-pyridin-2-ylphenol is Oc1ccc(-c2ccccn2)cc1CN1CCC(c2ccccc2)CC1.
What is the InChIKey of 2-[(4-phenylpiperidin-1-yl)methyl]-4-pyridin-2-ylphenol?
The InChIKey is SMIBHAIRRPEWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O/c26-23-10-9-20(22-8-4-5-13-24-22)16-21(23)17-25-14-11-19(12-15-25)18-6-2-1-3-7-18/h1-10,13,16,19,26H,11-12,14-15,17H2.
What are the key properties of 2-[(4-phenylpiperidin-1-yl)methyl]-4-pyridin-2-ylphenol?
2-[(4-phenylpiperidin-1-yl)methyl]-4-pyridin-2-ylphenol has a molecular weight of 344.46 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-phenylpiperidin-1-yl)methyl]-4-pyridin-2-ylphenol is sourced from PubChem (CID 135906345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).