(5,6-dichloro-3-pyridinyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone

C12H14Cl2N2O2 — CID 103900302

IUPAC(5,6-dichloro-3-pyridinyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2cnc(Cl)c(Cl)c2)CC1O
InChIInChI=1S/C12H14Cl2N2O2/c1-7-2-3-16(6-10(7)17)12(18)8-4-9(13)11(14)15-5-8/h4-5,7,10,17H,2-3,6H2,1H3
InChIKeyHTQVQXIWJKBZEP-UHFFFAOYSA-N
MW289.16 g/mol
LogP2.23
Rot. Bonds1

About (5,6-dichloro-3-pyridinyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone

(5,6-dichloro-3-pyridinyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone (PubChem CID 103900302) has the molecular formula C12H14Cl2N2O2 and a molecular weight of 289.16 g/mol. Its IUPAC name is (5,6-dichloro-3-pyridinyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(5,6-dichloro-3-pyridinyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
PubChem CID103900302
Molecular FormulaC12H14Cl2N2O2
Molecular Weight289.16 g/mol
Exact Mass288.04
IUPAC Name(5,6-dichloro-3-pyridinyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2cnc(Cl)c(Cl)c2)CC1O
InChIInChI=1S/C12H14Cl2N2O2/c1-7-2-3-16(6-10(7)17)12(18)8-4-9(13)11(14)15-5-8/h4-5,7,10,17H,2-3,6H2,1H3
InChIKeyHTQVQXIWJKBZEP-UHFFFAOYSA-N
XLogP2.23
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.16
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(4-amino-3,5-dichlorophenyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 103901173
(2,6-dichloro-4-pyridinyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 113348347
1-(5,6-dichloropyridine-3-carbonyl)-N,N-dimethylpiperidine-4-carboxamide
CID 60637345
(4-amino-3-chlorophenyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 102954869
(3-hydroxy-4-methylpiperidin-1-yl)-pyrimidin-5-ylmethanone
CID 104630335
1-(5,6-dichloropyridine-3-carbonyl)piperidine-3-carboxamide
CID 43079586
(3-chloro-4-nitrophenyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 103900747
4-(3-hydroxy-4-methylpiperidine-1-carbonyl)pyridine-2-carboxylic acid
CID 102963573
(3,4-dichlorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261191
(5,6-dichloro-3-pyridinyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 63763468
(5,6-dichloro-3-pyridinyl)-(2,4-dimethylpiperidin-1-yl)methanone
CID 62330677
methyl 2-[4-(5,6-dichloropyridine-3-carbonyl)morpholin-2-yl]acetate
CID 79812705

Frequently Asked Questions

What is the IUPAC name of (5,6-dichloro-3-pyridinyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone?
The IUPAC name of (5,6-dichloro-3-pyridinyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone (CID 103900302) is (5,6-dichloro-3-pyridinyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (5,6-dichloro-3-pyridinyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone?
The canonical SMILES for (5,6-dichloro-3-pyridinyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)c2cnc(Cl)c(Cl)c2)CC1O.
What is the InChIKey of (5,6-dichloro-3-pyridinyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone?
The InChIKey is HTQVQXIWJKBZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O2/c1-7-2-3-16(6-10(7)17)12(18)8-4-9(13)11(14)15-5-8/h4-5,7,10,17H,2-3,6H2,1H3.
What are the key properties of (5,6-dichloro-3-pyridinyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone?
(5,6-dichloro-3-pyridinyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone has a molecular weight of 289.16 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5,6-dichloro-3-pyridinyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 103900302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).