(6-chloro-2-methyl-3-pyridinyl)-(2-methylpiperidin-1-yl)methanone

C13H17ClN2O — CID 24885199

IUPAC(6-chloro-2-methyl-3-pyridinyl)-(2-methylpiperidin-1-yl)methanone
SMILESCc1nc(Cl)ccc1C(=O)N1CCCCC1C
InChIInChI=1S/C13H17ClN2O/c1-9-5-3-4-8-16(9)13(17)11-6-7-12(14)15-10(11)2/h6-7,9H,3-5,8H2,1-2H3
InChIKeyQFMFHHUCHKZIIT-UHFFFAOYSA-N
MW252.74 g/mol
LogP3.06
Rot. Bonds1

About (6-chloro-2-methyl-3-pyridinyl)-(2-methylpiperidin-1-yl)methanone

(6-chloro-2-methyl-3-pyridinyl)-(2-methylpiperidin-1-yl)methanone (PubChem CID 24885199) has the molecular formula C13H17ClN2O and a molecular weight of 252.74 g/mol. Its IUPAC name is (6-chloro-2-methyl-3-pyridinyl)-(2-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(6-chloro-2-methyl-3-pyridinyl)-(2-methylpiperidin-1-yl)methanone
PubChem CID24885199
Molecular FormulaC13H17ClN2O
Molecular Weight252.74 g/mol
Exact Mass252.10
IUPAC Name(6-chloro-2-methyl-3-pyridinyl)-(2-methylpiperidin-1-yl)methanone
SMILESCc1nc(Cl)ccc1C(=O)N1CCCCC1C
InChIInChI=1S/C13H17ClN2O/c1-9-5-3-4-8-16(9)13(17)11-6-7-12(14)15-10(11)2/h6-7,9H,3-5,8H2,1-2H3
InChIKeyQFMFHHUCHKZIIT-UHFFFAOYSA-N
XLogP3.06
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2,6-dimethyl-3-pyridinyl)-(2-methylpiperidin-1-yl)methanone
CID 128939743
(6-chloro-2-methyl-3-pyridinyl)-piperidin-1-ylmethanone
CID 168678066
(4-chloro-2-hydroxyphenyl)-(2-methylpiperidin-1-yl)methanone
CID 43176497
(6-chloro-2-methylpyrimidin-4-yl)-[(2R)-2-methylpiperidin-1-yl]methanone
CID 97458045
(2-hydroxyphenyl)-(2-methylpiperidin-1-yl)methanone
CID 43186537
(4-chloro-2-hydroxyphenyl)-(2-methylpyrrolidin-1-yl)methanone
CID 60975104
(2,4-difluorophenyl)-[(2R)-2-methylpiperidin-1-yl]methanone
CID 2347956
[(2R)-2-methylpiperidin-1-yl]-naphthalen-1-ylmethanone
CID 13185578
(2-methylpiperidin-1-yl)-[4-methyl-2-(triazol-2-yl)phenyl]methanone
CID 134503257
(5-bromo-2-methylphenyl)-(2-methylpiperidin-1-yl)methanone
CID 65308017
(3-amino-2-methylphenyl)-[(2S)-2-methylpiperidin-1-yl]methanone
CID 40788930
8-(2-methylpiperidine-1-carbonyl)naphthalene-1-carboxylic acid
CID 16772270

Frequently Asked Questions

What is the IUPAC name of (6-chloro-2-methyl-3-pyridinyl)-(2-methylpiperidin-1-yl)methanone?
The IUPAC name of (6-chloro-2-methyl-3-pyridinyl)-(2-methylpiperidin-1-yl)methanone (CID 24885199) is (6-chloro-2-methyl-3-pyridinyl)-(2-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (6-chloro-2-methyl-3-pyridinyl)-(2-methylpiperidin-1-yl)methanone?
The canonical SMILES for (6-chloro-2-methyl-3-pyridinyl)-(2-methylpiperidin-1-yl)methanone is Cc1nc(Cl)ccc1C(=O)N1CCCCC1C.
What is the InChIKey of (6-chloro-2-methyl-3-pyridinyl)-(2-methylpiperidin-1-yl)methanone?
The InChIKey is QFMFHHUCHKZIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O/c1-9-5-3-4-8-16(9)13(17)11-6-7-12(14)15-10(11)2/h6-7,9H,3-5,8H2,1-2H3.
What are the key properties of (6-chloro-2-methyl-3-pyridinyl)-(2-methylpiperidin-1-yl)methanone?
(6-chloro-2-methyl-3-pyridinyl)-(2-methylpiperidin-1-yl)methanone has a molecular weight of 252.74 g/mol, XLogP of 3.06, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-2-methyl-3-pyridinyl)-(2-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 24885199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).