1-(3-methylpiperidin-1-yl)butan-2-one

C10H19NO — CID 62039923

IUPAC1-(3-methylpiperidin-1-yl)butan-2-one
SMILESCCC(=O)CN1CCCC(C)C1
InChIInChI=1S/C10H19NO/c1-3-10(12)8-11-6-4-5-9(2)7-11/h9H,3-8H2,1-2H3
InChIKeyWKTURWJGPVEAEY-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.70
Rot. Bonds3

About 1-(3-methylpiperidin-1-yl)butan-2-one

1-(3-methylpiperidin-1-yl)butan-2-one (PubChem CID 62039923) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 1-(3-methylpiperidin-1-yl)butan-2-one.

Molecular Properties

Compound Name1-(3-methylpiperidin-1-yl)butan-2-one
PubChem CID62039923
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name1-(3-methylpiperidin-1-yl)butan-2-one
SMILESCCC(=O)CN1CCCC(C)C1
InChIInChI=1S/C10H19NO/c1-3-10(12)8-11-6-4-5-9(2)7-11/h9H,3-8H2,1-2H3
InChIKeyWKTURWJGPVEAEY-UHFFFAOYSA-N
XLogP1.70
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-2-(3-methylpiperidin-1-yl)ethanone
CID 63914299
2-(3-methylpiperidin-1-yl)acetic acid;hydrochloride
CID 46735976
1-(3-ethoxypiperidin-1-yl)butan-2-one
CID 62040575
2-(3-methylpiperidin-1-yl)acetohydrazide
CID 43906557
1-[4-[hydroxy(oxido)amino]cyclohexyl]-2-(3-methylpiperidin-1-yl)ethanone
CID 163171818
butyl 2-(3-methylpiperidin-1-yl)acetate
CID 60683573
ethane;1-ethyl-3-methylpiperidine
CID 91361629
1-(2-methylpiperidin-1-yl)-2-(3-methylpiperidin-1-yl)ethanone
CID 127272562
2-[(3R)-3-methylpiperidin-1-yl]-N-(propylcarbamoyl)acetamide
CID 8903288
3-[(3R)-3-methylpiperidin-1-yl]propanoic acid
CID 7258528
N-[(2R)-1-hydroxypropan-2-yl]-2-[(3R)-3-methylpiperidin-1-yl]acetamide
CID 170258612
1-[2-(3-methylpiperidin-1-yl)acetyl]piperidin-4-one
CID 43229392

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylpiperidin-1-yl)butan-2-one?
The IUPAC name of 1-(3-methylpiperidin-1-yl)butan-2-one (CID 62039923) is 1-(3-methylpiperidin-1-yl)butan-2-one.
What is the SMILES notation for 1-(3-methylpiperidin-1-yl)butan-2-one?
The canonical SMILES for 1-(3-methylpiperidin-1-yl)butan-2-one is CCC(=O)CN1CCCC(C)C1.
What is the InChIKey of 1-(3-methylpiperidin-1-yl)butan-2-one?
The InChIKey is WKTURWJGPVEAEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-3-10(12)8-11-6-4-5-9(2)7-11/h9H,3-8H2,1-2H3.
What are the key properties of 1-(3-methylpiperidin-1-yl)butan-2-one?
1-(3-methylpiperidin-1-yl)butan-2-one has a molecular weight of 169.27 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylpiperidin-1-yl)butan-2-one is sourced from PubChem (CID 62039923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).