(4-chloro-3-methylpiperidin-1-yl)-(2,6-dimethyl-3-pyridinyl)methanone

C14H19ClN2O — CID 114683136

IUPAC(4-chloro-3-methylpiperidin-1-yl)-(2,6-dimethyl-3-pyridinyl)methanone
SMILESCc1ccc(C(=O)N2CCC(Cl)C(C)C2)c(C)n1
InChIInChI=1S/C14H19ClN2O/c1-9-8-17(7-6-13(9)15)14(18)12-5-4-10(2)16-11(12)3/h4-5,9,13H,6-8H2,1-3H3
InChIKeyBVGHTKQYRKKCSY-UHFFFAOYSA-N
MW266.77 g/mol
LogP2.79
Rot. Bonds1

About (4-chloro-3-methylpiperidin-1-yl)-(2,6-dimethyl-3-pyridinyl)methanone

(4-chloro-3-methylpiperidin-1-yl)-(2,6-dimethyl-3-pyridinyl)methanone (PubChem CID 114683136) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is (4-chloro-3-methylpiperidin-1-yl)-(2,6-dimethyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name(4-chloro-3-methylpiperidin-1-yl)-(2,6-dimethyl-3-pyridinyl)methanone
PubChem CID114683136
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name(4-chloro-3-methylpiperidin-1-yl)-(2,6-dimethyl-3-pyridinyl)methanone
SMILESCc1ccc(C(=O)N2CCC(Cl)C(C)C2)c(C)n1
InChIInChI=1S/C14H19ClN2O/c1-9-8-17(7-6-13(9)15)14(18)12-5-4-10(2)16-11(12)3/h4-5,9,13H,6-8H2,1-3H3
InChIKeyBVGHTKQYRKKCSY-UHFFFAOYSA-N
XLogP2.79
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(3-bromopyrrolidin-1-yl)-(2,6-dimethyl-3-pyridinyl)methanone
CID 80677896
(2,6-dimethyl-3-pyridinyl)-[3-(methylamino)pyrrolidin-1-yl]methanone
CID 81466183
(3S,4S)-1-(2,6-dimethylpyridine-3-carbonyl)-4-methylpyrrolidine-3-carboxylic acid
CID 98537065
(2-chloro-4-methylphenyl)-(4-chloro-3-methylpiperidin-1-yl)methanone
CID 106864067
(4-chloro-3-methylpiperidin-1-yl)-(1,3-dimethylpyrazol-4-yl)methanone
CID 102802438
(4-aminopiperidin-1-yl)-(2,6-dimethyl-3-pyridinyl)methanone
CID 62829888
(4-bromopiperidin-1-yl)-(2,6-dimethyl-3-pyridinyl)methanone
CID 80661867
(2,6-dimethyl-3-pyridinyl)-(3-hydroxypiperidin-1-yl)methanone
CID 61060522
(4-chloro-3-methylpiperidin-1-yl)-(2,5-dimethylphenyl)methanone
CID 114683079
(2-chlorofuran-3-yl)-(4-chloro-3-methylpiperidin-1-yl)methanone
CID 106690201
(4-chloro-3-methylpiperidin-1-yl)-(2,4-dibromophenyl)methanone
CID 107941466
azepan-1-yl-(2,6-dimethyl-3-pyridinyl)methanone
CID 60924601

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-methylpiperidin-1-yl)-(2,6-dimethyl-3-pyridinyl)methanone?
The IUPAC name of (4-chloro-3-methylpiperidin-1-yl)-(2,6-dimethyl-3-pyridinyl)methanone (CID 114683136) is (4-chloro-3-methylpiperidin-1-yl)-(2,6-dimethyl-3-pyridinyl)methanone.
What is the SMILES notation for (4-chloro-3-methylpiperidin-1-yl)-(2,6-dimethyl-3-pyridinyl)methanone?
The canonical SMILES for (4-chloro-3-methylpiperidin-1-yl)-(2,6-dimethyl-3-pyridinyl)methanone is Cc1ccc(C(=O)N2CCC(Cl)C(C)C2)c(C)n1.
What is the InChIKey of (4-chloro-3-methylpiperidin-1-yl)-(2,6-dimethyl-3-pyridinyl)methanone?
The InChIKey is BVGHTKQYRKKCSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-9-8-17(7-6-13(9)15)14(18)12-5-4-10(2)16-11(12)3/h4-5,9,13H,6-8H2,1-3H3.
What are the key properties of (4-chloro-3-methylpiperidin-1-yl)-(2,6-dimethyl-3-pyridinyl)methanone?
(4-chloro-3-methylpiperidin-1-yl)-(2,6-dimethyl-3-pyridinyl)methanone has a molecular weight of 266.77 g/mol, XLogP of 2.79, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-methylpiperidin-1-yl)-(2,6-dimethyl-3-pyridinyl)methanone is sourced from PubChem (CID 114683136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).