1-(2,2-dimethylpiperidin-1-yl)-2,2-dimethylpropan-1-one

C12H23NO — CID 126750038

IUPAC1-(2,2-dimethylpiperidin-1-yl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCCCC1(C)C
InChIInChI=1S/C12H23NO/c1-11(2,3)10(14)13-9-7-6-8-12(13,4)5/h6-9H2,1-5H3
InChIKeyPBOVCRLNZGWMGB-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.82
Rot. Bonds

About 1-(2,2-dimethylpiperidin-1-yl)-2,2-dimethylpropan-1-one

1-(2,2-dimethylpiperidin-1-yl)-2,2-dimethylpropan-1-one (PubChem CID 126750038) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 1-(2,2-dimethylpiperidin-1-yl)-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-(2,2-dimethylpiperidin-1-yl)-2,2-dimethylpropan-1-one
PubChem CID126750038
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name1-(2,2-dimethylpiperidin-1-yl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCCCC1(C)C
InChIInChI=1S/C12H23NO/c1-11(2,3)10(14)13-9-7-6-8-12(13,4)5/h6-9H2,1-5H3
InChIKeyPBOVCRLNZGWMGB-UHFFFAOYSA-N
XLogP2.82
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
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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Related Compounds

1-(3-Methylpiperidin-1-yl)pentan-1-one
CID 303144
Piperidine,1-(2,2,4,4-tetramethylvaleryl)-
CID 208728
1-(3,5-Dimethylpiperidyl)-2-methylpentan-1-one
CID 2904846
1-Pivaloylpiperidine
CID 4418119
2-Methyl-1-(2-methylpiperidin-1-yl)propan-1-one
CID 3528259
1-(4-Cyclopropylpiperidin-1-yl)-2,2-dimethylpropan-1-one
CID 126750056
1-(2-Ethylpiperidyl)-2-methylpentan-1-one
CID 2889954
N-t-butylpiperidone
CID 14895119
1-(3-Fluoro-3-methylpiperidin-1-yl)-2-methylpropan-1-one
CID 58101535
1-(4-Fluoro-4-methylpiperidin-1-yl)-2,2-dimethylpropan-1-one
CID 59553925
2,2-Dimethyl-1-(3,3,5-trifluoro-5-methylpiperidin-1-yl)propan-1-one
CID 135271480
1-(3-Fluoro-3-methylpiperidin-1-yl)-2,2-dimethylpropan-1-one
CID 135271481

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpiperidin-1-yl)-2,2-dimethylpropan-1-one?
The IUPAC name of 1-(2,2-dimethylpiperidin-1-yl)-2,2-dimethylpropan-1-one (CID 126750038) is 1-(2,2-dimethylpiperidin-1-yl)-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-(2,2-dimethylpiperidin-1-yl)-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-(2,2-dimethylpiperidin-1-yl)-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)N1CCCCC1(C)C.
What is the InChIKey of 1-(2,2-dimethylpiperidin-1-yl)-2,2-dimethylpropan-1-one?
The InChIKey is PBOVCRLNZGWMGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-11(2,3)10(14)13-9-7-6-8-12(13,4)5/h6-9H2,1-5H3.
What are the key properties of 1-(2,2-dimethylpiperidin-1-yl)-2,2-dimethylpropan-1-one?
1-(2,2-dimethylpiperidin-1-yl)-2,2-dimethylpropan-1-one has a molecular weight of 197.32 g/mol, XLogP of 2.82, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpiperidin-1-yl)-2,2-dimethylpropan-1-one is sourced from PubChem (CID 126750038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).