(6-chloro-2-pyridinyl)-(2,3,5-trimethylpiperidin-1-yl)methanone

C14H19ClN2O — CID 114592936

IUPAC(6-chloro-2-pyridinyl)-(2,3,5-trimethylpiperidin-1-yl)methanone
SMILESCC1CC(C)C(C)N(C(=O)c2cccc(Cl)n2)C1
InChIInChI=1S/C14H19ClN2O/c1-9-7-10(2)11(3)17(8-9)14(18)12-5-4-6-13(15)16-12/h4-6,9-11H,7-8H2,1-3H3
InChIKeyMKBCLFFLGMIGPL-UHFFFAOYSA-N
MW266.77 g/mol
LogP3.24
Rot. Bonds1

About (6-chloro-2-pyridinyl)-(2,3,5-trimethylpiperidin-1-yl)methanone

(6-chloro-2-pyridinyl)-(2,3,5-trimethylpiperidin-1-yl)methanone (PubChem CID 114592936) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is (6-chloro-2-pyridinyl)-(2,3,5-trimethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(6-chloro-2-pyridinyl)-(2,3,5-trimethylpiperidin-1-yl)methanone
PubChem CID114592936
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name(6-chloro-2-pyridinyl)-(2,3,5-trimethylpiperidin-1-yl)methanone
SMILESCC1CC(C)C(C)N(C(=O)c2cccc(Cl)n2)C1
InChIInChI=1S/C14H19ClN2O/c1-9-7-10(2)11(3)17(8-9)14(18)12-5-4-6-13(15)16-12/h4-6,9-11H,7-8H2,1-3H3
InChIKeyMKBCLFFLGMIGPL-UHFFFAOYSA-N
XLogP3.24
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 ≤ 53.24
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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Frequently Asked Questions

What is the IUPAC name of (6-chloro-2-pyridinyl)-(2,3,5-trimethylpiperidin-1-yl)methanone?
The IUPAC name of (6-chloro-2-pyridinyl)-(2,3,5-trimethylpiperidin-1-yl)methanone (CID 114592936) is (6-chloro-2-pyridinyl)-(2,3,5-trimethylpiperidin-1-yl)methanone.
What is the SMILES notation for (6-chloro-2-pyridinyl)-(2,3,5-trimethylpiperidin-1-yl)methanone?
The canonical SMILES for (6-chloro-2-pyridinyl)-(2,3,5-trimethylpiperidin-1-yl)methanone is CC1CC(C)C(C)N(C(=O)c2cccc(Cl)n2)C1.
What is the InChIKey of (6-chloro-2-pyridinyl)-(2,3,5-trimethylpiperidin-1-yl)methanone?
The InChIKey is MKBCLFFLGMIGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-9-7-10(2)11(3)17(8-9)14(18)12-5-4-6-13(15)16-12/h4-6,9-11H,7-8H2,1-3H3.
What are the key properties of (6-chloro-2-pyridinyl)-(2,3,5-trimethylpiperidin-1-yl)methanone?
(6-chloro-2-pyridinyl)-(2,3,5-trimethylpiperidin-1-yl)methanone has a molecular weight of 266.77 g/mol, XLogP of 3.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-2-pyridinyl)-(2,3,5-trimethylpiperidin-1-yl)methanone is sourced from PubChem (CID 114592936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).