4-phenyl-2-[piperidin-1-yl(pyridin-3-yl)methyl]phenol

C23H24N2O — CID 10641197

IUPAC4-phenyl-2-[piperidin-1-yl(pyridin-3-yl)methyl]phenol
SMILESOc1ccc(-c2ccccc2)cc1C(c1cccnc1)N1CCCCC1
InChIInChI=1S/C23H24N2O/c26-22-12-11-19(18-8-3-1-4-9-18)16-21(22)23(20-10-7-13-24-17-20)25-14-5-2-6-15-25/h1,3-4,7-13,16-17,23,26H,2,5-6,14-15H2
InChIKeyROXAHRCDYKSERT-UHFFFAOYSA-N
MW344.46 g/mol
LogP5.03
Rot. Bonds4

About 4-phenyl-2-[piperidin-1-yl(pyridin-3-yl)methyl]phenol

4-phenyl-2-[piperidin-1-yl(pyridin-3-yl)methyl]phenol (PubChem CID 10641197) has the molecular formula C23H24N2O and a molecular weight of 344.46 g/mol. Its IUPAC name is 4-phenyl-2-[piperidin-1-yl(pyridin-3-yl)methyl]phenol.

Molecular Properties

Compound Name4-phenyl-2-[piperidin-1-yl(pyridin-3-yl)methyl]phenol
PubChem CID10641197
Molecular FormulaC23H24N2O
Molecular Weight344.46 g/mol
Exact Mass344.19
IUPAC Name4-phenyl-2-[piperidin-1-yl(pyridin-3-yl)methyl]phenol
SMILESOc1ccc(-c2ccccc2)cc1C(c1cccnc1)N1CCCCC1
InChIInChI=1S/C23H24N2O/c26-22-12-11-19(18-8-3-1-4-9-18)16-21(22)23(20-10-7-13-24-17-20)25-14-5-2-6-15-25/h1,3-4,7-13,16-17,23,26H,2,5-6,14-15H2
InChIKeyROXAHRCDYKSERT-UHFFFAOYSA-N
XLogP5.03
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.46
LogP ≤ 55.03
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-methyl-2-[phenyl(piperidin-1-yl)methyl]phenol
CID 3843964
7-[(S)-pyridin-3-yl(pyrrolidin-1-yl)methyl]quinolin-8-ol
CID 675468
3-[(1S,2R)-2-pyridin-3-yl-1,2-dipyrrolidin-1-ylethyl]pyridine
CID 11163071
4-[phenyl(pyridin-3-yl)methyl]morpholine
CID 132574107
3-[4-[4-(1-pyrrolidin-1-ylethyl)phenyl]phenyl]pyridine
CID 11602342
(3S)-3-piperidin-1-yl-3-pyridin-3-ylpropanoic acid
CID 92864030
4-phenyl-2-[[[(1R)-1-pyridin-3-ylethyl]amino]methyl]phenol
CID 95296775
[4-[phenyl(pyridin-3-yl)methyl]piperazin-1-yl]-pyridin-3-ylmethanone
CID 166114858
1-piperidin-1-yl-1-pyridin-3-ylpropan-2-one
CID 116860071
2-[morpholin-4-yl-(4-phenylphenyl)methyl]phenol
CID 102327495
3-methyl-5-[pyridin-3-yl(pyrrolidin-1-yl)methyl]-1,2,4-oxadiazole
CID 72931664
1-[naphthalen-1-yl(pyridin-3-yl)methyl]piperidine-3-carboxylic acid
CID 5157264

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-[piperidin-1-yl(pyridin-3-yl)methyl]phenol?
The IUPAC name of 4-phenyl-2-[piperidin-1-yl(pyridin-3-yl)methyl]phenol (CID 10641197) is 4-phenyl-2-[piperidin-1-yl(pyridin-3-yl)methyl]phenol.
What is the SMILES notation for 4-phenyl-2-[piperidin-1-yl(pyridin-3-yl)methyl]phenol?
The canonical SMILES for 4-phenyl-2-[piperidin-1-yl(pyridin-3-yl)methyl]phenol is Oc1ccc(-c2ccccc2)cc1C(c1cccnc1)N1CCCCC1.
What is the InChIKey of 4-phenyl-2-[piperidin-1-yl(pyridin-3-yl)methyl]phenol?
The InChIKey is ROXAHRCDYKSERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O/c26-22-12-11-19(18-8-3-1-4-9-18)16-21(22)23(20-10-7-13-24-17-20)25-14-5-2-6-15-25/h1,3-4,7-13,16-17,23,26H,2,5-6,14-15H2.
What are the key properties of 4-phenyl-2-[piperidin-1-yl(pyridin-3-yl)methyl]phenol?
4-phenyl-2-[piperidin-1-yl(pyridin-3-yl)methyl]phenol has a molecular weight of 344.46 g/mol, XLogP of 5.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-[piperidin-1-yl(pyridin-3-yl)methyl]phenol is sourced from PubChem (CID 10641197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).