3-(2-piperidin-2-ylethyl)-5-pyridin-3-ylphenol

C18H22N2O — CID 56869160

IUPAC3-(2-piperidin-2-ylethyl)-5-pyridin-3-ylphenol
SMILESOc1cc(CCC2CCCCN2)cc(-c2cccnc2)c1
InChIInChI=1S/C18H22N2O/c21-18-11-14(6-7-17-5-1-2-9-20-17)10-16(12-18)15-4-3-8-19-13-15/h3-4,8,10-13,17,20-21H,1-2,5-7,9H2
InChIKeyNAVMILZNYBGFKA-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.53
Rot. Bonds4

About 3-(2-piperidin-2-ylethyl)-5-pyridin-3-ylphenol

3-(2-piperidin-2-ylethyl)-5-pyridin-3-ylphenol (PubChem CID 56869160) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 3-(2-piperidin-2-ylethyl)-5-pyridin-3-ylphenol.

Molecular Properties

Compound Name3-(2-piperidin-2-ylethyl)-5-pyridin-3-ylphenol
PubChem CID56869160
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name3-(2-piperidin-2-ylethyl)-5-pyridin-3-ylphenol
SMILESOc1cc(CCC2CCCCN2)cc(-c2cccnc2)c1
InChIInChI=1S/C18H22N2O/c21-18-11-14(6-7-17-5-1-2-9-20-17)10-16(12-18)15-4-3-8-19-13-15/h3-4,8,10-13,17,20-21H,1-2,5-7,9H2
InChIKeyNAVMILZNYBGFKA-UHFFFAOYSA-N
XLogP3.53
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(2-piperidin-2-ylethyl)-5-pyridin-3-ylphenol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2-piperidin-2-ylethyl)-5-pyridin-3-ylphenol?
The IUPAC name of 3-(2-piperidin-2-ylethyl)-5-pyridin-3-ylphenol (CID 56869160) is 3-(2-piperidin-2-ylethyl)-5-pyridin-3-ylphenol.
What is the SMILES notation for 3-(2-piperidin-2-ylethyl)-5-pyridin-3-ylphenol?
The canonical SMILES for 3-(2-piperidin-2-ylethyl)-5-pyridin-3-ylphenol is Oc1cc(CCC2CCCCN2)cc(-c2cccnc2)c1.
What is the InChIKey of 3-(2-piperidin-2-ylethyl)-5-pyridin-3-ylphenol?
The InChIKey is NAVMILZNYBGFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c21-18-11-14(6-7-17-5-1-2-9-20-17)10-16(12-18)15-4-3-8-19-13-15/h3-4,8,10-13,17,20-21H,1-2,5-7,9H2.
What are the key properties of 3-(2-piperidin-2-ylethyl)-5-pyridin-3-ylphenol?
3-(2-piperidin-2-ylethyl)-5-pyridin-3-ylphenol has a molecular weight of 282.39 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-piperidin-2-ylethyl)-5-pyridin-3-ylphenol is sourced from PubChem (CID 56869160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).