1-(3-methoxy-3-methylpiperidin-1-yl)-4,4-dimethylpentan-3-one

C14H27NO2 — CID 107395055

IUPAC1-(3-methoxy-3-methylpiperidin-1-yl)-4,4-dimethylpentan-3-one
SMILESCOC1(C)CCCN(CCC(=O)C(C)(C)C)C1
InChIInChI=1S/C14H27NO2/c1-13(2,3)12(16)7-10-15-9-6-8-14(4,11-15)17-5/h6-11H2,1-5H3
InChIKeyIQARBZLBMCFZAN-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.49
Rot. Bonds4

About 1-(3-methoxy-3-methylpiperidin-1-yl)-4,4-dimethylpentan-3-one

1-(3-methoxy-3-methylpiperidin-1-yl)-4,4-dimethylpentan-3-one (PubChem CID 107395055) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 1-(3-methoxy-3-methylpiperidin-1-yl)-4,4-dimethylpentan-3-one.

Molecular Properties

Compound Name1-(3-methoxy-3-methylpiperidin-1-yl)-4,4-dimethylpentan-3-one
PubChem CID107395055
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name1-(3-methoxy-3-methylpiperidin-1-yl)-4,4-dimethylpentan-3-one
SMILESCOC1(C)CCCN(CCC(=O)C(C)(C)C)C1
InChIInChI=1S/C14H27NO2/c1-13(2,3)12(16)7-10-15-9-6-8-14(4,11-15)17-5/h6-11H2,1-5H3
InChIKeyIQARBZLBMCFZAN-UHFFFAOYSA-N
XLogP2.49
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-3-methylpiperidin-1-yl)-4,4-dimethylpentan-3-one?
The IUPAC name of 1-(3-methoxy-3-methylpiperidin-1-yl)-4,4-dimethylpentan-3-one (CID 107395055) is 1-(3-methoxy-3-methylpiperidin-1-yl)-4,4-dimethylpentan-3-one.
What is the SMILES notation for 1-(3-methoxy-3-methylpiperidin-1-yl)-4,4-dimethylpentan-3-one?
The canonical SMILES for 1-(3-methoxy-3-methylpiperidin-1-yl)-4,4-dimethylpentan-3-one is COC1(C)CCCN(CCC(=O)C(C)(C)C)C1.
What is the InChIKey of 1-(3-methoxy-3-methylpiperidin-1-yl)-4,4-dimethylpentan-3-one?
The InChIKey is IQARBZLBMCFZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-13(2,3)12(16)7-10-15-9-6-8-14(4,11-15)17-5/h6-11H2,1-5H3.
What are the key properties of 1-(3-methoxy-3-methylpiperidin-1-yl)-4,4-dimethylpentan-3-one?
1-(3-methoxy-3-methylpiperidin-1-yl)-4,4-dimethylpentan-3-one has a molecular weight of 241.37 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-3-methylpiperidin-1-yl)-4,4-dimethylpentan-3-one is sourced from PubChem (CID 107395055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).