1-[3-(2,2-dimethylpropyl)piperidin-1-yl]ethanone

C12H23NO — CID 59751401

IUPAC1-[3-(2,2-dimethylpropyl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC(CC(C)(C)C)C1
InChIInChI=1S/C12H23NO/c1-10(14)13-7-5-6-11(9-13)8-12(2,3)4/h11H,5-9H2,1-4H3
InChIKeyUREOVANGQONWIV-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.68
Rot. Bonds1

About 1-[3-(2,2-dimethylpropyl)piperidin-1-yl]ethanone

1-[3-(2,2-dimethylpropyl)piperidin-1-yl]ethanone (PubChem CID 59751401) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 1-[3-(2,2-dimethylpropyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-(2,2-dimethylpropyl)piperidin-1-yl]ethanone
PubChem CID59751401
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name1-[3-(2,2-dimethylpropyl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC(CC(C)(C)C)C1
InChIInChI=1S/C12H23NO/c1-10(14)13-7-5-6-11(9-13)8-12(2,3)4/h11H,5-9H2,1-4H3
InChIKeyUREOVANGQONWIV-UHFFFAOYSA-N
XLogP2.68
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[1-[(3R)-1-acetylpiperidin-3-yl]-2-methylpropan-2-yl] carbamate
CID 175269428
azetidin-1-yl-[3-(2,2-dimethylpropyl)pyrrolidin-1-yl]methanone
CID 164775434
1-[3-[2-(1-acetylpiperidin-3-yl)ethyl]piperidin-1-yl]propan-1-one
CID 91567205
2-[[(3R)-1-acetylpiperidin-3-yl]methoxy]acetic acid
CID 96885372
3-[1-(2,2-dimethylpropanoyl)piperidin-3-yl]-2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one
CID 129276778
1-[3-(cyclobutylmethylamino)-5-(2,2-dimethylpropyl)piperidin-1-yl]ethanone
CID 83997130
1-[3-[[2-hydroxyethyl(methyl)amino]methyl]piperidin-1-yl]ethanone
CID 66565448
ethane;1-[(3R)-3-methylpiperidin-1-yl]ethanone
CID 176561282
1-(3-cyclopentylpiperidin-1-yl)ethanone
CID 91592675
ethane;1-(3-methylpiperidin-1-yl)ethanone
CID 91356589
1-[4-(1-acetylpiperidine-3-carbonyl)piperazin-1-yl]ethanone
CID 110686076
(3R)-3-(2,2-dimethylpropyl)-N,N-dimethylpyrrolidine-1-carboxamide
CID 164775319

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,2-dimethylpropyl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[3-(2,2-dimethylpropyl)piperidin-1-yl]ethanone (CID 59751401) is 1-[3-(2,2-dimethylpropyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-(2,2-dimethylpropyl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[3-(2,2-dimethylpropyl)piperidin-1-yl]ethanone is CC(=O)N1CCCC(CC(C)(C)C)C1.
What is the InChIKey of 1-[3-(2,2-dimethylpropyl)piperidin-1-yl]ethanone?
The InChIKey is UREOVANGQONWIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-10(14)13-7-5-6-11(9-13)8-12(2,3)4/h11H,5-9H2,1-4H3.
What are the key properties of 1-[3-(2,2-dimethylpropyl)piperidin-1-yl]ethanone?
1-[3-(2,2-dimethylpropyl)piperidin-1-yl]ethanone has a molecular weight of 197.32 g/mol, XLogP of 2.68, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,2-dimethylpropyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 59751401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).