(2-ethylpiperidin-1-yl)-(6-methyl-2-pyridinyl)methanone

C14H20N2O — CID 42943801

IUPAC(2-ethylpiperidin-1-yl)-(6-methyl-2-pyridinyl)methanone
SMILESCCC1CCCCN1C(=O)c1cccc(C)n1
InChIInChI=1S/C14H20N2O/c1-3-12-8-4-5-10-16(12)14(17)13-9-6-7-11(2)15-13/h6-7,9,12H,3-5,8,10H2,1-2H3
InChIKeyKWIFMOGKEQAIAT-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.79
Rot. Bonds2

About (2-ethylpiperidin-1-yl)-(6-methyl-2-pyridinyl)methanone

(2-ethylpiperidin-1-yl)-(6-methyl-2-pyridinyl)methanone (PubChem CID 42943801) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is (2-ethylpiperidin-1-yl)-(6-methyl-2-pyridinyl)methanone.

Molecular Properties

Compound Name(2-ethylpiperidin-1-yl)-(6-methyl-2-pyridinyl)methanone
PubChem CID42943801
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name(2-ethylpiperidin-1-yl)-(6-methyl-2-pyridinyl)methanone
SMILESCCC1CCCCN1C(=O)c1cccc(C)n1
InChIInChI=1S/C14H20N2O/c1-3-12-8-4-5-10-16(12)14(17)13-9-6-7-11(2)15-13/h6-7,9,12H,3-5,8,10H2,1-2H3
InChIKeyKWIFMOGKEQAIAT-UHFFFAOYSA-N
XLogP2.79
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-ethylpiperidin-1-yl)-(6-methyl-2-pyridinyl)methanone?
The IUPAC name of (2-ethylpiperidin-1-yl)-(6-methyl-2-pyridinyl)methanone (CID 42943801) is (2-ethylpiperidin-1-yl)-(6-methyl-2-pyridinyl)methanone.
What is the SMILES notation for (2-ethylpiperidin-1-yl)-(6-methyl-2-pyridinyl)methanone?
The canonical SMILES for (2-ethylpiperidin-1-yl)-(6-methyl-2-pyridinyl)methanone is CCC1CCCCN1C(=O)c1cccc(C)n1.
What is the InChIKey of (2-ethylpiperidin-1-yl)-(6-methyl-2-pyridinyl)methanone?
The InChIKey is KWIFMOGKEQAIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-3-12-8-4-5-10-16(12)14(17)13-9-6-7-11(2)15-13/h6-7,9,12H,3-5,8,10H2,1-2H3.
What are the key properties of (2-ethylpiperidin-1-yl)-(6-methyl-2-pyridinyl)methanone?
(2-ethylpiperidin-1-yl)-(6-methyl-2-pyridinyl)methanone has a molecular weight of 232.33 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpiperidin-1-yl)-(6-methyl-2-pyridinyl)methanone is sourced from PubChem (CID 42943801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).