3-[[4-(2-benzhydryloxyethyl)piperidin-1-yl]methyl]pyridine

C26H30N2O — CID 10548223

IUPAC3-[[4-(2-benzhydryloxyethyl)piperidin-1-yl]methyl]pyridine
SMILESc1ccc(C(OCCC2CCN(Cc3cccnc3)CC2)c2ccccc2)cc1
InChIInChI=1S/C26H30N2O/c1-3-9-24(10-4-1)26(25-11-5-2-6-12-25)29-19-15-22-13-17-28(18-14-22)21-23-8-7-16-27-20-23/h1-12,16,20,22,26H,13-15,17-19,21H2
InChIKeyACUBOAOOZIDJOY-UHFFFAOYSA-N
MW386.54 g/mol
LogP5.49
Rot. Bonds8

About 3-[[4-(2-benzhydryloxyethyl)piperidin-1-yl]methyl]pyridine

3-[[4-(2-benzhydryloxyethyl)piperidin-1-yl]methyl]pyridine (PubChem CID 10548223) has the molecular formula C26H30N2O and a molecular weight of 386.54 g/mol. Its IUPAC name is 3-[[4-(2-benzhydryloxyethyl)piperidin-1-yl]methyl]pyridine.

Molecular Properties

Compound Name3-[[4-(2-benzhydryloxyethyl)piperidin-1-yl]methyl]pyridine
PubChem CID10548223
Molecular FormulaC26H30N2O
Molecular Weight386.54 g/mol
Exact Mass386.24
IUPAC Name3-[[4-(2-benzhydryloxyethyl)piperidin-1-yl]methyl]pyridine
SMILESc1ccc(C(OCCC2CCN(Cc3cccnc3)CC2)c2ccccc2)cc1
InChIInChI=1S/C26H30N2O/c1-3-9-24(10-4-1)26(25-11-5-2-6-12-25)29-19-15-22-13-17-28(18-14-22)21-23-8-7-16-27-20-23/h1-12,16,20,22,26H,13-15,17-19,21H2
InChIKeyACUBOAOOZIDJOY-UHFFFAOYSA-N
XLogP5.49
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.54
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[[4-(2-benzhydryloxyethyl)piperidin-1-yl]methyl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Doxylamine
CID 3162
2-Morpholino-2-phenyl-1,1-di(pyridin-3-yl)ethanol
CID 11710246
1,1-Diphenyl-2-pyridin-4-ylethanol
CID 303194
2-Phenyl-1,1-di(pyridin-3-yl)ethanol
CID 46885546
(2,6-Diethylphenyl)(3-pyridinyl)methyl acetate
CID 5236931
2-((2-Methoxyethyl)(methyl)amino)-2-phenyl-1,1-di(pyridin-3-yl)ethanol
CID 11660563
4-[3-[(4-Phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine
CID 24785977
3-((4-(Pyridin-3-yl)benzyl)oxy)azetidine-1-carbonitrile
CID 118524772
3-(Tetrahydro-2-furanyl)pyridine
CID 53908098
2-Methyl-1,2-di-pyridin-3-yl-1-methoxypropane
CID 44299128
4-[2-(4-Benzylphenoxy)ethyl]pyridine
CID 44818625
2-[4-(2-Phenylethyl)piperazin-1-yl]-1-pyridin-3-ylethanol
CID 24784658

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(2-benzhydryloxyethyl)piperidin-1-yl]methyl]pyridine?
The IUPAC name of 3-[[4-(2-benzhydryloxyethyl)piperidin-1-yl]methyl]pyridine (CID 10548223) is 3-[[4-(2-benzhydryloxyethyl)piperidin-1-yl]methyl]pyridine.
What is the SMILES notation for 3-[[4-(2-benzhydryloxyethyl)piperidin-1-yl]methyl]pyridine?
The canonical SMILES for 3-[[4-(2-benzhydryloxyethyl)piperidin-1-yl]methyl]pyridine is c1ccc(C(OCCC2CCN(Cc3cccnc3)CC2)c2ccccc2)cc1.
What is the InChIKey of 3-[[4-(2-benzhydryloxyethyl)piperidin-1-yl]methyl]pyridine?
The InChIKey is ACUBOAOOZIDJOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O/c1-3-9-24(10-4-1)26(25-11-5-2-6-12-25)29-19-15-22-13-17-28(18-14-22)21-23-8-7-16-27-20-23/h1-12,16,20,22,26H,13-15,17-19,21H2.
What are the key properties of 3-[[4-(2-benzhydryloxyethyl)piperidin-1-yl]methyl]pyridine?
3-[[4-(2-benzhydryloxyethyl)piperidin-1-yl]methyl]pyridine has a molecular weight of 386.54 g/mol, XLogP of 5.49, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(2-benzhydryloxyethyl)piperidin-1-yl]methyl]pyridine is sourced from PubChem (CID 10548223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).