2-phenyl-6-(piperidin-1-ylmethyl)pyridin-3-ol;dihydrochloride

C17H22Cl2N2O — CID 45488864

IUPAC2-phenyl-6-(piperidin-1-ylmethyl)pyridin-3-ol;dihydrochloride
SMILESCl.Cl.Oc1ccc(CN2CCCCC2)nc1-c1ccccc1
InChIInChI=1S/C17H20N2O.2ClH/c20-16-10-9-15(13-19-11-5-2-6-12-19)18-17(16)14-7-3-1-4-8-14;;/h1,3-4,7-10,20H,2,5-6,11-13H2;2*1H
InChIKeyUFFOILCTSZDFTJ-UHFFFAOYSA-N
MW341.28 g/mol
LogP4.28
Rot. Bonds3

About 2-phenyl-6-(piperidin-1-ylmethyl)pyridin-3-ol;dihydrochloride

2-phenyl-6-(piperidin-1-ylmethyl)pyridin-3-ol;dihydrochloride (PubChem CID 45488864) has the molecular formula C17H22Cl2N2O and a molecular weight of 341.28 g/mol. Its IUPAC name is 2-phenyl-6-(piperidin-1-ylmethyl)pyridin-3-ol;dihydrochloride.

Molecular Properties

Compound Name2-phenyl-6-(piperidin-1-ylmethyl)pyridin-3-ol;dihydrochloride
PubChem CID45488864
Molecular FormulaC17H22Cl2N2O
Molecular Weight341.28 g/mol
Exact Mass340.11
IUPAC Name2-phenyl-6-(piperidin-1-ylmethyl)pyridin-3-ol;dihydrochloride
SMILESCl.Cl.Oc1ccc(CN2CCCCC2)nc1-c1ccccc1
InChIInChI=1S/C17H20N2O.2ClH/c20-16-10-9-15(13-19-11-5-2-6-12-19)18-17(16)14-7-3-1-4-8-14;;/h1,3-4,7-10,20H,2,5-6,11-13H2;2*1H
InChIKeyUFFOILCTSZDFTJ-UHFFFAOYSA-N
XLogP4.28
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.28
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-6-(piperidin-1-ylmethyl)pyridin-3-ol;dihydrochloride?
The IUPAC name of 2-phenyl-6-(piperidin-1-ylmethyl)pyridin-3-ol;dihydrochloride (CID 45488864) is 2-phenyl-6-(piperidin-1-ylmethyl)pyridin-3-ol;dihydrochloride.
What is the SMILES notation for 2-phenyl-6-(piperidin-1-ylmethyl)pyridin-3-ol;dihydrochloride?
The canonical SMILES for 2-phenyl-6-(piperidin-1-ylmethyl)pyridin-3-ol;dihydrochloride is Cl.Cl.Oc1ccc(CN2CCCCC2)nc1-c1ccccc1.
What is the InChIKey of 2-phenyl-6-(piperidin-1-ylmethyl)pyridin-3-ol;dihydrochloride?
The InChIKey is UFFOILCTSZDFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O.2ClH/c20-16-10-9-15(13-19-11-5-2-6-12-19)18-17(16)14-7-3-1-4-8-14;;/h1,3-4,7-10,20H,2,5-6,11-13H2;2*1H.
What are the key properties of 2-phenyl-6-(piperidin-1-ylmethyl)pyridin-3-ol;dihydrochloride?
2-phenyl-6-(piperidin-1-ylmethyl)pyridin-3-ol;dihydrochloride has a molecular weight of 341.28 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-6-(piperidin-1-ylmethyl)pyridin-3-ol;dihydrochloride is sourced from PubChem (CID 45488864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).