5-[(4-methylphenyl)methyl]-2-(piperidin-1-ylmethyl)pyridin-3-ol;hydrochloride

C19H25ClN2O — CID 44522341

IUPAC5-[(4-methylphenyl)methyl]-2-(piperidin-1-ylmethyl)pyridin-3-ol;hydrochloride
SMILESCc1ccc(Cc2cnc(CN3CCCCC3)c(O)c2)cc1.Cl
InChIInChI=1S/C19H24N2O.ClH/c1-15-5-7-16(8-6-15)11-17-12-19(22)18(20-13-17)14-21-9-3-2-4-10-21;/h5-8,12-13,22H,2-4,9-11,14H2,1H3;1H
InChIKeyYPAOJUCLUGZQEO-UHFFFAOYSA-N
MW332.88 g/mol
LogP4.09
Rot. Bonds4

About 5-[(4-methylphenyl)methyl]-2-(piperidin-1-ylmethyl)pyridin-3-ol;hydrochloride

5-[(4-methylphenyl)methyl]-2-(piperidin-1-ylmethyl)pyridin-3-ol;hydrochloride (PubChem CID 44522341) has the molecular formula C19H25ClN2O and a molecular weight of 332.88 g/mol. Its IUPAC name is 5-[(4-methylphenyl)methyl]-2-(piperidin-1-ylmethyl)pyridin-3-ol;hydrochloride.

Molecular Properties

Compound Name5-[(4-methylphenyl)methyl]-2-(piperidin-1-ylmethyl)pyridin-3-ol;hydrochloride
PubChem CID44522341
Molecular FormulaC19H25ClN2O
Molecular Weight332.88 g/mol
Exact Mass332.17
IUPAC Name5-[(4-methylphenyl)methyl]-2-(piperidin-1-ylmethyl)pyridin-3-ol;hydrochloride
SMILESCc1ccc(Cc2cnc(CN3CCCCC3)c(O)c2)cc1.Cl
InChIInChI=1S/C19H24N2O.ClH/c1-15-5-7-16(8-6-15)11-17-12-19(22)18(20-13-17)14-21-9-3-2-4-10-21;/h5-8,12-13,22H,2-4,9-11,14H2,1H3;1H
InChIKeyYPAOJUCLUGZQEO-UHFFFAOYSA-N
XLogP4.09
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.88
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-methylphenyl)methyl]-2-(piperidin-1-ylmethyl)pyridin-3-ol;hydrochloride?
The IUPAC name of 5-[(4-methylphenyl)methyl]-2-(piperidin-1-ylmethyl)pyridin-3-ol;hydrochloride (CID 44522341) is 5-[(4-methylphenyl)methyl]-2-(piperidin-1-ylmethyl)pyridin-3-ol;hydrochloride.
What is the SMILES notation for 5-[(4-methylphenyl)methyl]-2-(piperidin-1-ylmethyl)pyridin-3-ol;hydrochloride?
The canonical SMILES for 5-[(4-methylphenyl)methyl]-2-(piperidin-1-ylmethyl)pyridin-3-ol;hydrochloride is Cc1ccc(Cc2cnc(CN3CCCCC3)c(O)c2)cc1.Cl.
What is the InChIKey of 5-[(4-methylphenyl)methyl]-2-(piperidin-1-ylmethyl)pyridin-3-ol;hydrochloride?
The InChIKey is YPAOJUCLUGZQEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O.ClH/c1-15-5-7-16(8-6-15)11-17-12-19(22)18(20-13-17)14-21-9-3-2-4-10-21;/h5-8,12-13,22H,2-4,9-11,14H2,1H3;1H.
What are the key properties of 5-[(4-methylphenyl)methyl]-2-(piperidin-1-ylmethyl)pyridin-3-ol;hydrochloride?
5-[(4-methylphenyl)methyl]-2-(piperidin-1-ylmethyl)pyridin-3-ol;hydrochloride has a molecular weight of 332.88 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methylphenyl)methyl]-2-(piperidin-1-ylmethyl)pyridin-3-ol;hydrochloride is sourced from PubChem (CID 44522341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).