2-[(3-methylpiperidin-1-yl)methyl]-4-pyridin-3-ylphenol

C18H22N2O — CID 45249191

IUPAC2-[(3-methylpiperidin-1-yl)methyl]-4-pyridin-3-ylphenol
SMILESCC1CCCN(Cc2cc(-c3cccnc3)ccc2O)C1
InChIInChI=1S/C18H22N2O/c1-14-4-3-9-20(12-14)13-17-10-15(6-7-18(17)21)16-5-2-8-19-11-16/h2,5-8,10-11,14,21H,3-4,9,12-13H2,1H3
InChIKeyYOHNHXIJRQUGBU-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.69
Rot. Bonds3

About 2-[(3-methylpiperidin-1-yl)methyl]-4-pyridin-3-ylphenol

2-[(3-methylpiperidin-1-yl)methyl]-4-pyridin-3-ylphenol (PubChem CID 45249191) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-[(3-methylpiperidin-1-yl)methyl]-4-pyridin-3-ylphenol.

Molecular Properties

Compound Name2-[(3-methylpiperidin-1-yl)methyl]-4-pyridin-3-ylphenol
PubChem CID45249191
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name2-[(3-methylpiperidin-1-yl)methyl]-4-pyridin-3-ylphenol
SMILESCC1CCCN(Cc2cc(-c3cccnc3)ccc2O)C1
InChIInChI=1S/C18H22N2O/c1-14-4-3-9-20(12-14)13-17-10-15(6-7-18(17)21)16-5-2-8-19-11-16/h2,5-8,10-11,14,21H,3-4,9,12-13H2,1H3
InChIKeyYOHNHXIJRQUGBU-UHFFFAOYSA-N
XLogP3.69
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

4-(4-chlorophenyl)-1-[(2-hydroxy-5-pyridin-3-ylphenyl)methyl]piperidin-4-ol
CID 42166450
2-[(cyclohexylamino)methyl]-4-pyridin-3-ylphenol
CID 42424481
3-[(3-methylpiperidin-1-yl)methyl]pyridine-2-carboxylic acid
CID 55146885
2-chloro-3-[(3-methylpiperidin-1-yl)methyl]pyridine;ethane
CID 145106063
3-[(3-methylpiperidin-1-yl)methyl]pyridine-2-carbothioamide
CID 62893261
2-[(3-methylpiperidin-1-yl)methyl]-4-(quinazolin-4-ylamino)phenol
CID 154631150
4-[(3-methylpiperidin-1-yl)methyl]pyridine
CID 121401070
N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 55798536
2-fluoro-4-[(3-methylpiperidin-1-yl)methyl]phenol
CID 107693923
2-chloro-6-[(3-methylpiperidin-1-yl)methyl]phenol
CID 112553322
6-hydroxy-7-[[(3R)-3-methylpiperidin-1-yl]methyl]-2-(pyridin-3-ylmethylidene)-1-benzofuran-3-one
CID 163166502
3-[[(3R)-3-methylpiperidin-1-yl]methyl]phenol
CID 70461714

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylpiperidin-1-yl)methyl]-4-pyridin-3-ylphenol?
The IUPAC name of 2-[(3-methylpiperidin-1-yl)methyl]-4-pyridin-3-ylphenol (CID 45249191) is 2-[(3-methylpiperidin-1-yl)methyl]-4-pyridin-3-ylphenol.
What is the SMILES notation for 2-[(3-methylpiperidin-1-yl)methyl]-4-pyridin-3-ylphenol?
The canonical SMILES for 2-[(3-methylpiperidin-1-yl)methyl]-4-pyridin-3-ylphenol is CC1CCCN(Cc2cc(-c3cccnc3)ccc2O)C1.
What is the InChIKey of 2-[(3-methylpiperidin-1-yl)methyl]-4-pyridin-3-ylphenol?
The InChIKey is YOHNHXIJRQUGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-14-4-3-9-20(12-14)13-17-10-15(6-7-18(17)21)16-5-2-8-19-11-16/h2,5-8,10-11,14,21H,3-4,9,12-13H2,1H3.
What are the key properties of 2-[(3-methylpiperidin-1-yl)methyl]-4-pyridin-3-ylphenol?
2-[(3-methylpiperidin-1-yl)methyl]-4-pyridin-3-ylphenol has a molecular weight of 282.39 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylpiperidin-1-yl)methyl]-4-pyridin-3-ylphenol is sourced from PubChem (CID 45249191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).