ethane;3-methyl-1-piperidin-4-ylbutan-2-one

C12H25NO — CID 172604297

IUPACethane;3-methyl-1-piperidin-4-ylbutan-2-one
SMILESCC.CC(C)C(=O)CC1CCNCC1
InChIInChI=1S/C10H19NO.C2H6/c1-8(2)10(12)7-9-3-5-11-6-4-9;1-2/h8-9,11H,3-7H2,1-2H3;1-2H3
InChIKeyKAIYLQQERMXDLZ-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.63
Rot. Bonds3

About ethane;3-methyl-1-piperidin-4-ylbutan-2-one

ethane;3-methyl-1-piperidin-4-ylbutan-2-one (PubChem CID 172604297) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is ethane;3-methyl-1-piperidin-4-ylbutan-2-one.

Molecular Properties

Compound Nameethane;3-methyl-1-piperidin-4-ylbutan-2-one
PubChem CID172604297
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Nameethane;3-methyl-1-piperidin-4-ylbutan-2-one
SMILESCC.CC(C)C(=O)CC1CCNCC1
InChIInChI=1S/C10H19NO.C2H6/c1-8(2)10(12)7-9-3-5-11-6-4-9;1-2/h8-9,11H,3-7H2,1-2H3;1-2H3
InChIKeyKAIYLQQERMXDLZ-UHFFFAOYSA-N
XLogP2.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-[4-(2-methylpropyl)cyclohexyl]butan-2-one
CID 153444618
N-(4-hydroxybutan-2-yl)-2-piperidin-4-ylacetamide
CID 83177313
N-methyl-2-piperidin-4-yl-N-propan-2-ylacetamide
CID 24690049
3-methyl-1-[4-(2-piperidin-4-ylethyl)piperidin-1-yl]butan-2-one
CID 172604820
3-methyl-1-(1-methyliodanuidylpiperidin-4-yl)butan-2-one
CID 172604494
1-(3,3-difluorocyclopentyl)-3-methylbutan-2-one
CID 126974544
methane;4-(3-methyl-2-oxobutyl)cyclohexane-1-carboxamide
CID 159920641
N-(4-methylpentan-2-yl)-2-piperidin-4-ylacetamide
CID 43372444
3-methyl-1-[1-(2-methylpropyl)piperidin-4-yl]butan-2-one
CID 153390625
2-piperidin-4-yl-N-propan-2-yl-N-propylacetamide
CID 43269799
1-cyclopentyl-3-methylbutan-2-one;thiophene
CID 174398739
N-(1-methylcyclopropyl)-2-piperidin-4-ylacetamide
CID 115739550

Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-1-piperidin-4-ylbutan-2-one?
The IUPAC name of ethane;3-methyl-1-piperidin-4-ylbutan-2-one (CID 172604297) is ethane;3-methyl-1-piperidin-4-ylbutan-2-one.
What is the SMILES notation for ethane;3-methyl-1-piperidin-4-ylbutan-2-one?
The canonical SMILES for ethane;3-methyl-1-piperidin-4-ylbutan-2-one is CC.CC(C)C(=O)CC1CCNCC1.
What is the InChIKey of ethane;3-methyl-1-piperidin-4-ylbutan-2-one?
The InChIKey is KAIYLQQERMXDLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO.C2H6/c1-8(2)10(12)7-9-3-5-11-6-4-9;1-2/h8-9,11H,3-7H2,1-2H3;1-2H3.
What are the key properties of ethane;3-methyl-1-piperidin-4-ylbutan-2-one?
ethane;3-methyl-1-piperidin-4-ylbutan-2-one has a molecular weight of 199.34 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-1-piperidin-4-ylbutan-2-one is sourced from PubChem (CID 172604297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).