3-methyl-1-[1-(2-methylpropyl)piperidin-4-yl]butan-2-one

C14H27NO — CID 153390625

IUPAC3-methyl-1-[1-(2-methylpropyl)piperidin-4-yl]butan-2-one
SMILESCC(C)CN1CCC(CC(=O)C(C)C)CC1
InChIInChI=1S/C14H27NO/c1-11(2)10-15-7-5-13(6-8-15)9-14(16)12(3)4/h11-13H,5-10H2,1-4H3
InChIKeyPCOCJEZDNYHNKH-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.97
Rot. Bonds5

About 3-methyl-1-[1-(2-methylpropyl)piperidin-4-yl]butan-2-one

3-methyl-1-[1-(2-methylpropyl)piperidin-4-yl]butan-2-one (PubChem CID 153390625) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 3-methyl-1-[1-(2-methylpropyl)piperidin-4-yl]butan-2-one.

Molecular Properties

Compound Name3-methyl-1-[1-(2-methylpropyl)piperidin-4-yl]butan-2-one
PubChem CID153390625
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name3-methyl-1-[1-(2-methylpropyl)piperidin-4-yl]butan-2-one
SMILESCC(C)CN1CCC(CC(=O)C(C)C)CC1
InChIInChI=1S/C14H27NO/c1-11(2)10-15-7-5-13(6-8-15)9-14(16)12(3)4/h11-13H,5-10H2,1-4H3
InChIKeyPCOCJEZDNYHNKH-UHFFFAOYSA-N
XLogP2.97
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-methylprop-2-enyl)-1-(2-methylpropyl)piperidine
CID 126612510
3-methyl-1-(1-methyliodanuidylpiperidin-4-yl)butan-2-one
CID 172604494
2-methyl-1-[1-(2-methylpropyl)piperidin-4-yl]propan-1-one
CID 176724060
3-methyl-1-[4-(2-methylpropyl)cyclohexyl]butan-2-one
CID 153444618
1-cyclopropyl-2-[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]ethanone
CID 165387278
1-[1-(cyclobutanecarbonyl)piperidin-4-yl]-3-methylbutan-2-one
CID 155710662
[1-(2-methylpropyl)piperidin-4-yl]methyl 3-methylbutanoate
CID 176612204
N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]propan-1-amine
CID 62593266
4-chloro-1-(2-methylpropyl)piperidine
CID 63389166
2-[1-(2-methylpropyl)pyrrolidin-3-yl]ethanol
CID 83981105
methane;4-(3-methyl-2-oxobutyl)cyclohexane-1-carboxamide
CID 159920641
N,3-dimethyl-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]butanamide
CID 171540237

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[1-(2-methylpropyl)piperidin-4-yl]butan-2-one?
The IUPAC name of 3-methyl-1-[1-(2-methylpropyl)piperidin-4-yl]butan-2-one (CID 153390625) is 3-methyl-1-[1-(2-methylpropyl)piperidin-4-yl]butan-2-one.
What is the SMILES notation for 3-methyl-1-[1-(2-methylpropyl)piperidin-4-yl]butan-2-one?
The canonical SMILES for 3-methyl-1-[1-(2-methylpropyl)piperidin-4-yl]butan-2-one is CC(C)CN1CCC(CC(=O)C(C)C)CC1.
What is the InChIKey of 3-methyl-1-[1-(2-methylpropyl)piperidin-4-yl]butan-2-one?
The InChIKey is PCOCJEZDNYHNKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-11(2)10-15-7-5-13(6-8-15)9-14(16)12(3)4/h11-13H,5-10H2,1-4H3.
What are the key properties of 3-methyl-1-[1-(2-methylpropyl)piperidin-4-yl]butan-2-one?
3-methyl-1-[1-(2-methylpropyl)piperidin-4-yl]butan-2-one has a molecular weight of 225.38 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[1-(2-methylpropyl)piperidin-4-yl]butan-2-one is sourced from PubChem (CID 153390625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).