[(2S)-1-methylpiperidin-2-yl]-(3-pyridin-2-ylphenyl)methanol

C18H22N2O — CID 69185387

IUPAC[(2S)-1-methylpiperidin-2-yl]-(3-pyridin-2-ylphenyl)methanol
SMILESCN1CCCCC1C(O)c1cccc(-c2ccccn2)c1
InChIInChI=1S/C18H22N2O/c1-20-12-5-3-10-17(20)18(21)15-8-6-7-14(13-15)16-9-2-4-11-19-16/h2,4,6-9,11,13,17-18,21H,3,5,10,12H2,1H3
InChIKeyVZKDMRMUFKQAIQ-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.27
Rot. Bonds3

About [(2S)-1-methylpiperidin-2-yl]-(3-pyridin-2-ylphenyl)methanol

[(2S)-1-methylpiperidin-2-yl]-(3-pyridin-2-ylphenyl)methanol (PubChem CID 69185387) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is [(2S)-1-methylpiperidin-2-yl]-(3-pyridin-2-ylphenyl)methanol.

Molecular Properties

Compound Name[(2S)-1-methylpiperidin-2-yl]-(3-pyridin-2-ylphenyl)methanol
PubChem CID69185387
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name[(2S)-1-methylpiperidin-2-yl]-(3-pyridin-2-ylphenyl)methanol
SMILESCN1CCCCC1C(O)c1cccc(-c2ccccn2)c1
InChIInChI=1S/C18H22N2O/c1-20-12-5-3-10-17(20)18(21)15-8-6-7-14(13-15)16-9-2-4-11-19-16/h2,4,6-9,11,13,17-18,21H,3,5,10,12H2,1H3
InChIKeyVZKDMRMUFKQAIQ-UHFFFAOYSA-N
XLogP3.27
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 ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-methylpiperidin-2-yl]-(3-pyridin-2-ylphenyl)methanol?
The IUPAC name of [(2S)-1-methylpiperidin-2-yl]-(3-pyridin-2-ylphenyl)methanol (CID 69185387) is [(2S)-1-methylpiperidin-2-yl]-(3-pyridin-2-ylphenyl)methanol.
What is the SMILES notation for [(2S)-1-methylpiperidin-2-yl]-(3-pyridin-2-ylphenyl)methanol?
The canonical SMILES for [(2S)-1-methylpiperidin-2-yl]-(3-pyridin-2-ylphenyl)methanol is CN1CCCCC1C(O)c1cccc(-c2ccccn2)c1.
What is the InChIKey of [(2S)-1-methylpiperidin-2-yl]-(3-pyridin-2-ylphenyl)methanol?
The InChIKey is VZKDMRMUFKQAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-20-12-5-3-10-17(20)18(21)15-8-6-7-14(13-15)16-9-2-4-11-19-16/h2,4,6-9,11,13,17-18,21H,3,5,10,12H2,1H3.
What are the key properties of [(2S)-1-methylpiperidin-2-yl]-(3-pyridin-2-ylphenyl)methanol?
[(2S)-1-methylpiperidin-2-yl]-(3-pyridin-2-ylphenyl)methanol has a molecular weight of 282.39 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-methylpiperidin-2-yl]-(3-pyridin-2-ylphenyl)methanol is sourced from PubChem (CID 69185387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).