4-(3-methoxy-3-methylpiperidin-1-yl)butan-2-one

C11H21NO2 — CID 107393646

IUPAC4-(3-methoxy-3-methylpiperidin-1-yl)butan-2-one
SMILESCOC1(C)CCCN(CCC(C)=O)C1
InChIInChI=1S/C11H21NO2/c1-10(13)5-8-12-7-4-6-11(2,9-12)14-3/h4-9H2,1-3H3
InChIKeyPOSRHLQUFFZKHW-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.47
Rot. Bonds4

About 4-(3-methoxy-3-methylpiperidin-1-yl)butan-2-one

4-(3-methoxy-3-methylpiperidin-1-yl)butan-2-one (PubChem CID 107393646) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 4-(3-methoxy-3-methylpiperidin-1-yl)butan-2-one.

Molecular Properties

Compound Name4-(3-methoxy-3-methylpiperidin-1-yl)butan-2-one
PubChem CID107393646
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name4-(3-methoxy-3-methylpiperidin-1-yl)butan-2-one
SMILESCOC1(C)CCCN(CCC(C)=O)C1
InChIInChI=1S/C11H21NO2/c1-10(13)5-8-12-7-4-6-11(2,9-12)14-3/h4-9H2,1-3H3
InChIKeyPOSRHLQUFFZKHW-UHFFFAOYSA-N
XLogP1.47
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-methoxy-3-methylpiperidin-1-yl)propanehydrazide
CID 107395837
ethyl 3-(3-methoxy-3-methylpiperidin-1-yl)propanoate
CID 107393414
2-(3-methoxy-3-methylpiperidin-1-yl)ethanethiol
CID 107396245
2-amino-4-(3-methoxy-3-methylpiperidin-1-yl)butanamide
CID 107394759
1-(5-bromopentyl)-3-methoxy-3-methylpiperidine
CID 107394409
2-(3-methoxy-3-methylpiperidin-1-yl)-N-methylethanamine
CID 107391084
4-(4-hydroxy-4-methylazepan-1-yl)butan-2-one
CID 107405316
N-(cyclopropylmethyl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine
CID 107393244
5-(3-methoxy-3-methylpiperidin-1-yl)-2-methyl-2-(methylamino)pentanoic acid
CID 107394776
3-methoxy-3-methyl-1-pent-4-ynylpiperidine
CID 107394439
1-(3-methoxy-3-methylpiperidin-1-yl)-3-methylbutan-2-ol
CID 107394547
4-methoxy-1-(3-methoxy-3-methylpiperidin-1-yl)-4-methylpentan-3-ol
CID 114229284

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxy-3-methylpiperidin-1-yl)butan-2-one?
The IUPAC name of 4-(3-methoxy-3-methylpiperidin-1-yl)butan-2-one (CID 107393646) is 4-(3-methoxy-3-methylpiperidin-1-yl)butan-2-one.
What is the SMILES notation for 4-(3-methoxy-3-methylpiperidin-1-yl)butan-2-one?
The canonical SMILES for 4-(3-methoxy-3-methylpiperidin-1-yl)butan-2-one is COC1(C)CCCN(CCC(C)=O)C1.
What is the InChIKey of 4-(3-methoxy-3-methylpiperidin-1-yl)butan-2-one?
The InChIKey is POSRHLQUFFZKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-10(13)5-8-12-7-4-6-11(2,9-12)14-3/h4-9H2,1-3H3.
What are the key properties of 4-(3-methoxy-3-methylpiperidin-1-yl)butan-2-one?
4-(3-methoxy-3-methylpiperidin-1-yl)butan-2-one has a molecular weight of 199.29 g/mol, XLogP of 1.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxy-3-methylpiperidin-1-yl)butan-2-one is sourced from PubChem (CID 107393646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).