1-(2-butyl-5-methylpiperidin-1-yl)ethanone

C12H23NO — CID 91136456

IUPAC1-(2-butyl-5-methylpiperidin-1-yl)ethanone
SMILESCCCCC1CCC(C)CN1C(C)=O
InChIInChI=1S/C12H23NO/c1-4-5-6-12-8-7-10(2)9-13(12)11(3)14/h10,12H,4-9H2,1-3H3
InChIKeyVUIFKWZIZFXMSO-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.82
Rot. Bonds3

About 1-(2-butyl-5-methylpiperidin-1-yl)ethanone

1-(2-butyl-5-methylpiperidin-1-yl)ethanone (PubChem CID 91136456) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 1-(2-butyl-5-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(2-butyl-5-methylpiperidin-1-yl)ethanone
PubChem CID91136456
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name1-(2-butyl-5-methylpiperidin-1-yl)ethanone
SMILESCCCCC1CCC(C)CN1C(C)=O
InChIInChI=1S/C12H23NO/c1-4-5-6-12-8-7-10(2)9-13(12)11(3)14/h10,12H,4-9H2,1-3H3
InChIKeyVUIFKWZIZFXMSO-UHFFFAOYSA-N
XLogP2.82
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-butyl-5-methylpiperidin-1-yl)ethanone?
The IUPAC name of 1-(2-butyl-5-methylpiperidin-1-yl)ethanone (CID 91136456) is 1-(2-butyl-5-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 1-(2-butyl-5-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 1-(2-butyl-5-methylpiperidin-1-yl)ethanone is CCCCC1CCC(C)CN1C(C)=O.
What is the InChIKey of 1-(2-butyl-5-methylpiperidin-1-yl)ethanone?
The InChIKey is VUIFKWZIZFXMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-4-5-6-12-8-7-10(2)9-13(12)11(3)14/h10,12H,4-9H2,1-3H3.
What are the key properties of 1-(2-butyl-5-methylpiperidin-1-yl)ethanone?
1-(2-butyl-5-methylpiperidin-1-yl)ethanone has a molecular weight of 197.32 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butyl-5-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 91136456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).