(2-chlorophenyl)-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)methanone

C17H17ClN2O2 — CID 1446483

IUPAC(2-chlorophenyl)-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)methanone
SMILESO=C(c1ccccc1Cl)N1CCC(O)(c2cccnc2)CC1
InChIInChI=1S/C17H17ClN2O2/c18-15-6-2-1-5-14(15)16(21)20-10-7-17(22,8-11-20)13-4-3-9-19-12-13/h1-6,9,12,22H,7-8,10-11H2
InChIKeyMPLWLMYFJHRUCH-UHFFFAOYSA-N
MW316.79 g/mol
LogP2.86
Rot. Bonds2

About (2-chlorophenyl)-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)methanone

(2-chlorophenyl)-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)methanone (PubChem CID 1446483) has the molecular formula C17H17ClN2O2 and a molecular weight of 316.79 g/mol. Its IUPAC name is (2-chlorophenyl)-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)methanone
PubChem CID1446483
Molecular FormulaC17H17ClN2O2
Molecular Weight316.79 g/mol
Exact Mass316.10
IUPAC Name(2-chlorophenyl)-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)methanone
SMILESO=C(c1ccccc1Cl)N1CCC(O)(c2cccnc2)CC1
InChIInChI=1S/C17H17ClN2O2/c18-15-6-2-1-5-14(15)16(21)20-10-7-17(22,8-11-20)13-4-3-9-19-12-13/h1-6,9,12,22H,7-8,10-11H2
InChIKeyMPLWLMYFJHRUCH-UHFFFAOYSA-N
XLogP2.86
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)methanone?
The IUPAC name of (2-chlorophenyl)-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)methanone (CID 1446483) is (2-chlorophenyl)-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (2-chlorophenyl)-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)methanone?
The canonical SMILES for (2-chlorophenyl)-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)methanone is O=C(c1ccccc1Cl)N1CCC(O)(c2cccnc2)CC1.
What is the InChIKey of (2-chlorophenyl)-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)methanone?
The InChIKey is MPLWLMYFJHRUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O2/c18-15-6-2-1-5-14(15)16(21)20-10-7-17(22,8-11-20)13-4-3-9-19-12-13/h1-6,9,12,22H,7-8,10-11H2.
What are the key properties of (2-chlorophenyl)-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)methanone?
(2-chlorophenyl)-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)methanone has a molecular weight of 316.79 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 1446483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).