5-benzyl-2-(piperidin-1-ylmethyl)pyridin-3-ol

C18H22N2O — CID 744728

IUPAC5-benzyl-2-(piperidin-1-ylmethyl)pyridin-3-ol
SMILESOc1cc(Cc2ccccc2)cnc1CN1CCCCC1
InChIInChI=1S/C18H22N2O/c21-18-12-16(11-15-7-3-1-4-8-15)13-19-17(18)14-20-9-5-2-6-10-20/h1,3-4,7-8,12-13,21H,2,5-6,9-11,14H2
InChIKeyLWCZNOISFRHDQU-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.36
Rot. Bonds4

About 5-benzyl-2-(piperidin-1-ylmethyl)pyridin-3-ol

5-benzyl-2-(piperidin-1-ylmethyl)pyridin-3-ol (PubChem CID 744728) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 5-benzyl-2-(piperidin-1-ylmethyl)pyridin-3-ol.

Molecular Properties

Compound Name5-benzyl-2-(piperidin-1-ylmethyl)pyridin-3-ol
PubChem CID744728
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name5-benzyl-2-(piperidin-1-ylmethyl)pyridin-3-ol
SMILESOc1cc(Cc2ccccc2)cnc1CN1CCCCC1
InChIInChI=1S/C18H22N2O/c21-18-12-16(11-15-7-3-1-4-8-15)13-19-17(18)14-20-9-5-2-6-10-20/h1,3-4,7-8,12-13,21H,2,5-6,9-11,14H2
InChIKeyLWCZNOISFRHDQU-UHFFFAOYSA-N
XLogP3.36
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-2-(piperidin-1-ylmethyl)pyridin-3-ol?
The IUPAC name of 5-benzyl-2-(piperidin-1-ylmethyl)pyridin-3-ol (CID 744728) is 5-benzyl-2-(piperidin-1-ylmethyl)pyridin-3-ol.
What is the SMILES notation for 5-benzyl-2-(piperidin-1-ylmethyl)pyridin-3-ol?
The canonical SMILES for 5-benzyl-2-(piperidin-1-ylmethyl)pyridin-3-ol is Oc1cc(Cc2ccccc2)cnc1CN1CCCCC1.
What is the InChIKey of 5-benzyl-2-(piperidin-1-ylmethyl)pyridin-3-ol?
The InChIKey is LWCZNOISFRHDQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c21-18-12-16(11-15-7-3-1-4-8-15)13-19-17(18)14-20-9-5-2-6-10-20/h1,3-4,7-8,12-13,21H,2,5-6,9-11,14H2.
What are the key properties of 5-benzyl-2-(piperidin-1-ylmethyl)pyridin-3-ol?
5-benzyl-2-(piperidin-1-ylmethyl)pyridin-3-ol has a molecular weight of 282.39 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-2-(piperidin-1-ylmethyl)pyridin-3-ol is sourced from PubChem (CID 744728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).