3-methyl-1-piperidin-1-ylbutan-2-one

C20H38N2O2 — CID 160735866

IUPAC3-methyl-1-piperidin-1-ylbutan-2-one
SMILESCC(C)C(=O)CN1CCCCC1.CC(C)C(=O)CN1CCCCC1
InChIInChI=1S/2C10H19NO/c2*1-9(2)10(12)8-11-6-4-3-5-7-11/h2*9H,3-8H2,1-2H3
InChIKeyRUYANLDSZHZSBR-UHFFFAOYSA-N
MW338.54 g/mol
LogP3.39
Rot. Bonds6

About 3-methyl-1-piperidin-1-ylbutan-2-one

3-methyl-1-piperidin-1-ylbutan-2-one (PubChem CID 160735866) has the molecular formula C20H38N2O2 and a molecular weight of 338.54 g/mol. Its IUPAC name is 3-methyl-1-piperidin-1-ylbutan-2-one.

Molecular Properties

Compound Name3-methyl-1-piperidin-1-ylbutan-2-one
PubChem CID160735866
Molecular FormulaC20H38N2O2
Molecular Weight338.54 g/mol
Exact Mass338.29
IUPAC Name3-methyl-1-piperidin-1-ylbutan-2-one
SMILESCC(C)C(=O)CN1CCCCC1.CC(C)C(=O)CN1CCCCC1
InChIInChI=1S/2C10H19NO/c2*1-9(2)10(12)8-11-6-4-3-5-7-11/h2*9H,3-8H2,1-2H3
InChIKeyRUYANLDSZHZSBR-UHFFFAOYSA-N
XLogP3.39
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.54
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methane;3-methyl-1-(4-methylpiperazin-1-yl)butan-2-one;3-methyl-1-piperazin-1-ylbutan-2-one;3-methyl-1-piperidin-1-ylbutan-2-one
CID 159657528
2-[11-(3-methyl-2-oxobutyl)-1,4,8,11-tetrazabicyclo[6.6.3]heptadecan-4-yl]acetic acid
CID 177124273
3-methyl-1-(4-methylpiperidin-1-yl)butan-2-one
CID 23588199
3-methyl-1-(1-oxo-1,4-thiazinan-4-yl)butan-2-one
CID 79395365
1-(3,3-dimethylpiperidin-1-yl)-3-methylbutan-2-one
CID 79395843
N-methyl-1-(3-methyl-2-oxobutyl)piperidine-4-carboxamide
CID 79396383
propan-2-yl 2-piperidin-1-ylacetate
CID 44791468
1-(8-ethyl-2,8-diazaspiro[5.5]undecan-2-yl)-3-methylbutan-2-one
CID 176578535
ethane;1-piperidin-1-ylpropan-2-one
CID 90726504
1-(azetidin-1-yl)-4-methylpentan-3-one
CID 131213332
1-(3-methyl-2-oxobutyl)pyrrolidine-2,5-dione;4-methyl-1-piperidin-1-ylpentan-3-one;propane
CID 161304756
4-methyl-1-(2-piperidin-1-ylethoxy)pentan-3-one
CID 176984393

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-piperidin-1-ylbutan-2-one?
The IUPAC name of 3-methyl-1-piperidin-1-ylbutan-2-one (CID 160735866) is 3-methyl-1-piperidin-1-ylbutan-2-one.
What is the SMILES notation for 3-methyl-1-piperidin-1-ylbutan-2-one?
The canonical SMILES for 3-methyl-1-piperidin-1-ylbutan-2-one is CC(C)C(=O)CN1CCCCC1.CC(C)C(=O)CN1CCCCC1.
What is the InChIKey of 3-methyl-1-piperidin-1-ylbutan-2-one?
The InChIKey is RUYANLDSZHZSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H19NO/c2*1-9(2)10(12)8-11-6-4-3-5-7-11/h2*9H,3-8H2,1-2H3.
What are the key properties of 3-methyl-1-piperidin-1-ylbutan-2-one?
3-methyl-1-piperidin-1-ylbutan-2-one has a molecular weight of 338.54 g/mol, XLogP of 3.39, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-piperidin-1-ylbutan-2-one is sourced from PubChem (CID 160735866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).