2-[[(2R)-2-ethylpiperidin-1-yl]methyl]-4-pyridin-2-ylphenol

C19H24N2O — CID 135950417

IUPAC2-[[(2R)-2-ethylpiperidin-1-yl]methyl]-4-pyridin-2-ylphenol
SMILESCC[C@@H]1CCCCN1Cc1cc(-c2ccccn2)ccc1O
InChIInChI=1S/C19H24N2O/c1-2-17-7-4-6-12-21(17)14-16-13-15(9-10-19(16)22)18-8-3-5-11-20-18/h3,5,8-11,13,17,22H,2,4,6-7,12,14H2,1H3/t17-/m1/s1
InChIKeyFSYKIRIYZLTRTG-QGZVFWFLSA-N
MW296.41 g/mol
LogP4.22
Rot. Bonds4

About 2-[[(2R)-2-ethylpiperidin-1-yl]methyl]-4-pyridin-2-ylphenol

2-[[(2R)-2-ethylpiperidin-1-yl]methyl]-4-pyridin-2-ylphenol (PubChem CID 135950417) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is 2-[[(2R)-2-ethylpiperidin-1-yl]methyl]-4-pyridin-2-ylphenol.

Molecular Properties

Compound Name2-[[(2R)-2-ethylpiperidin-1-yl]methyl]-4-pyridin-2-ylphenol
PubChem CID135950417
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name2-[[(2R)-2-ethylpiperidin-1-yl]methyl]-4-pyridin-2-ylphenol
SMILESCC[C@@H]1CCCCN1Cc1cc(-c2ccccn2)ccc1O
InChIInChI=1S/C19H24N2O/c1-2-17-7-4-6-12-21(17)14-16-13-15(9-10-19(16)22)18-8-3-5-11-20-18/h3,5,8-11,13,17,22H,2,4,6-7,12,14H2,1H3/t17-/m1/s1
InChIKeyFSYKIRIYZLTRTG-QGZVFWFLSA-N
XLogP4.22
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 54.22
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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Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-2-ethylpiperidin-1-yl]methyl]-4-pyridin-2-ylphenol?
The IUPAC name of 2-[[(2R)-2-ethylpiperidin-1-yl]methyl]-4-pyridin-2-ylphenol (CID 135950417) is 2-[[(2R)-2-ethylpiperidin-1-yl]methyl]-4-pyridin-2-ylphenol.
What is the SMILES notation for 2-[[(2R)-2-ethylpiperidin-1-yl]methyl]-4-pyridin-2-ylphenol?
The canonical SMILES for 2-[[(2R)-2-ethylpiperidin-1-yl]methyl]-4-pyridin-2-ylphenol is CC[C@@H]1CCCCN1Cc1cc(-c2ccccn2)ccc1O.
What is the InChIKey of 2-[[(2R)-2-ethylpiperidin-1-yl]methyl]-4-pyridin-2-ylphenol?
The InChIKey is FSYKIRIYZLTRTG-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H24N2O/c1-2-17-7-4-6-12-21(17)14-16-13-15(9-10-19(16)22)18-8-3-5-11-20-18/h3,5,8-11,13,17,22H,2,4,6-7,12,14H2,1H3/t17-/m1/s1.
What are the key properties of 2-[[(2R)-2-ethylpiperidin-1-yl]methyl]-4-pyridin-2-ylphenol?
2-[[(2R)-2-ethylpiperidin-1-yl]methyl]-4-pyridin-2-ylphenol has a molecular weight of 296.41 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-2-ethylpiperidin-1-yl]methyl]-4-pyridin-2-ylphenol is sourced from PubChem (CID 135950417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).