1-[5-methyl-2,3-di(propan-2-yl)piperidin-1-yl]ethanone

C14H27NO — CID 170293881

IUPAC1-[5-methyl-2,3-di(propan-2-yl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CC(C)CC(C(C)C)C1C(C)C
InChIInChI=1S/C14H27NO/c1-9(2)13-7-11(5)8-15(12(6)16)14(13)10(3)4/h9-11,13-14H,7-8H2,1-6H3
InChIKeyYFUXGPFDOAIIRK-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.17
Rot. Bonds2

About 1-[5-methyl-2,3-di(propan-2-yl)piperidin-1-yl]ethanone

1-[5-methyl-2,3-di(propan-2-yl)piperidin-1-yl]ethanone (PubChem CID 170293881) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 1-[5-methyl-2,3-di(propan-2-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[5-methyl-2,3-di(propan-2-yl)piperidin-1-yl]ethanone
PubChem CID170293881
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name1-[5-methyl-2,3-di(propan-2-yl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CC(C)CC(C(C)C)C1C(C)C
InChIInChI=1S/C14H27NO/c1-9(2)13-7-11(5)8-15(12(6)16)14(13)10(3)4/h9-11,13-14H,7-8H2,1-6H3
InChIKeyYFUXGPFDOAIIRK-UHFFFAOYSA-N
XLogP3.17
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,5-dimethylpiperidin-1-yl)ethanone;ethane
CID 156753838
1-[(4S)-4-methyl-2,3-di(propan-2-yl)imidazolidin-1-yl]ethanone
CID 134573108
1-[(2R,3S)-2-cyclopropyl-3-propan-2-ylaziridin-1-yl]ethanone
CID 170053654
1-(2-propan-2-ylazetidin-1-yl)ethanone
CID 131133539
(2S,4R)-2,4-dimethylpyrrolidine-1-carbonyl chloride
CID 53471285
2-methyl-1-[4-methyl-2-(2-methylpropyl)pyrrolidin-1-yl]propan-1-one
CID 147250143
(2R)-2-amino-1-(2,3,5-trimethylpiperidin-1-yl)propan-1-one
CID 104939664
trans-(1R,2S)-2-propan-2-ylcyclopropane-1-carboxylic acid
CID 59617928
(3R,5S)-3-hydroxy-5-methyl-N-propan-2-ylpiperidine-1-carboxamide
CID 130900909
3-amino-2-methyl-1-(2,3,5-trimethylpiperidin-1-yl)butan-1-one
CID 114593024
1-[2-methyl-4,5-di(propan-2-yl)piperidin-1-yl]prop-2-en-1-one
CID 176827739
1-(2-methyl-3-azabicyclo[3.1.0]hexan-3-yl)ethanone
CID 77427420

Frequently Asked Questions

What is the IUPAC name of 1-[5-methyl-2,3-di(propan-2-yl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[5-methyl-2,3-di(propan-2-yl)piperidin-1-yl]ethanone (CID 170293881) is 1-[5-methyl-2,3-di(propan-2-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[5-methyl-2,3-di(propan-2-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[5-methyl-2,3-di(propan-2-yl)piperidin-1-yl]ethanone is CC(=O)N1CC(C)CC(C(C)C)C1C(C)C.
What is the InChIKey of 1-[5-methyl-2,3-di(propan-2-yl)piperidin-1-yl]ethanone?
The InChIKey is YFUXGPFDOAIIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-9(2)13-7-11(5)8-15(12(6)16)14(13)10(3)4/h9-11,13-14H,7-8H2,1-6H3.
What are the key properties of 1-[5-methyl-2,3-di(propan-2-yl)piperidin-1-yl]ethanone?
1-[5-methyl-2,3-di(propan-2-yl)piperidin-1-yl]ethanone has a molecular weight of 225.38 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-methyl-2,3-di(propan-2-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 170293881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).