3,3-dimethyl-1-(4-methylpiperidin-1-yl)butan-2-one

C12H23NO — CID 43219767

IUPAC3,3-dimethyl-1-(4-methylpiperidin-1-yl)butan-2-one
SMILESCC1CCN(CC(=O)C(C)(C)C)CC1
InChIInChI=1S/C12H23NO/c1-10-5-7-13(8-6-10)9-11(14)12(2,3)4/h10H,5-9H2,1-4H3
InChIKeyKOTARZFDOYEJPI-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.33
Rot. Bonds2

About 3,3-dimethyl-1-(4-methylpiperidin-1-yl)butan-2-one

3,3-dimethyl-1-(4-methylpiperidin-1-yl)butan-2-one (PubChem CID 43219767) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 3,3-dimethyl-1-(4-methylpiperidin-1-yl)butan-2-one.

Molecular Properties

Compound Name3,3-dimethyl-1-(4-methylpiperidin-1-yl)butan-2-one
PubChem CID43219767
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name3,3-dimethyl-1-(4-methylpiperidin-1-yl)butan-2-one
SMILESCC1CCN(CC(=O)C(C)(C)C)CC1
InChIInChI=1S/C12H23NO/c1-10-5-7-13(8-6-10)9-11(14)12(2,3)4/h10H,5-9H2,1-4H3
InChIKeyKOTARZFDOYEJPI-UHFFFAOYSA-N
XLogP2.33
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(4-methylpiperidin-1-yl)butan-2-one?
The IUPAC name of 3,3-dimethyl-1-(4-methylpiperidin-1-yl)butan-2-one (CID 43219767) is 3,3-dimethyl-1-(4-methylpiperidin-1-yl)butan-2-one.
What is the SMILES notation for 3,3-dimethyl-1-(4-methylpiperidin-1-yl)butan-2-one?
The canonical SMILES for 3,3-dimethyl-1-(4-methylpiperidin-1-yl)butan-2-one is CC1CCN(CC(=O)C(C)(C)C)CC1.
What is the InChIKey of 3,3-dimethyl-1-(4-methylpiperidin-1-yl)butan-2-one?
The InChIKey is KOTARZFDOYEJPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-10-5-7-13(8-6-10)9-11(14)12(2,3)4/h10H,5-9H2,1-4H3.
What are the key properties of 3,3-dimethyl-1-(4-methylpiperidin-1-yl)butan-2-one?
3,3-dimethyl-1-(4-methylpiperidin-1-yl)butan-2-one has a molecular weight of 197.32 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(4-methylpiperidin-1-yl)butan-2-one is sourced from PubChem (CID 43219767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).