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

C14H27NO3 — CID 114229025

IUPAC4-methoxy-1-(4-methoxy-2-methylpiperidin-1-yl)-4-methylpentan-3-one
SMILESCOC1CCN(CCC(=O)C(C)(C)OC)C(C)C1
InChIInChI=1S/C14H27NO3/c1-11-10-12(17-4)6-8-15(11)9-7-13(16)14(2,3)18-5/h11-12H,6-10H2,1-5H3
InChIKeyAZZYPDMBRLMYQY-UHFFFAOYSA-N
MW257.37 g/mol
LogP1.87
Rot. Bonds6

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

4-methoxy-1-(4-methoxy-2-methylpiperidin-1-yl)-4-methylpentan-3-one (PubChem CID 114229025) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is 4-methoxy-1-(4-methoxy-2-methylpiperidin-1-yl)-4-methylpentan-3-one.

Molecular Properties

Compound Name4-methoxy-1-(4-methoxy-2-methylpiperidin-1-yl)-4-methylpentan-3-one
PubChem CID114229025
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Name4-methoxy-1-(4-methoxy-2-methylpiperidin-1-yl)-4-methylpentan-3-one
SMILESCOC1CCN(CCC(=O)C(C)(C)OC)C(C)C1
InChIInChI=1S/C14H27NO3/c1-11-10-12(17-4)6-8-15(11)9-7-13(16)14(2,3)18-5/h11-12H,6-10H2,1-5H3
InChIKeyAZZYPDMBRLMYQY-UHFFFAOYSA-N
XLogP1.87
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropylamino)-3-(4-methoxy-2-methylpiperidin-1-yl)-2-methylpropan-1-ol
CID 114221626
N-[2-(4-methoxy-2-methylpiperidin-1-yl)ethyl]cyclopentanamine
CID 114221239
1-[2-(4-methoxy-2-methylpiperidin-1-yl)acetyl]piperidin-4-one
CID 114221342
1-(4-methoxy-2-methylpiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 114221624
2-acetamido-3-(4-methoxy-2-methylpiperidin-1-yl)propanoic acid
CID 114221286
1-(azetidin-3-ylmethyl)-4-methoxy-2-methylpiperidine
CID 130485895
ethane;methyl 4-methoxy-2-methylpiperidine-1-carboxylate
CID 164564582
4-[(2S,4S)-4-hydroxy-2-methylpiperidin-1-yl]butan-2-one
CID 126987742
(2R,4R)-1-chloro-4-methoxy-2-methylpiperidine
CID 118569724
1-[(4-methoxy-2-methylpiperidin-1-yl)methyl]cycloheptane-1-carbaldehyde
CID 114221540
methyl 4-(2,4-dimethylpiperidin-1-yl)-2-methyl-2-(methylamino)butanoate
CID 55062051
[1-[(4-methoxy-2-methylpiperidin-1-yl)methyl]cyclopentyl]methanamine
CID 114221232

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-(4-methoxy-2-methylpiperidin-1-yl)-4-methylpentan-3-one?
The IUPAC name of 4-methoxy-1-(4-methoxy-2-methylpiperidin-1-yl)-4-methylpentan-3-one (CID 114229025) is 4-methoxy-1-(4-methoxy-2-methylpiperidin-1-yl)-4-methylpentan-3-one.
What is the SMILES notation for 4-methoxy-1-(4-methoxy-2-methylpiperidin-1-yl)-4-methylpentan-3-one?
The canonical SMILES for 4-methoxy-1-(4-methoxy-2-methylpiperidin-1-yl)-4-methylpentan-3-one is COC1CCN(CCC(=O)C(C)(C)OC)C(C)C1.
What is the InChIKey of 4-methoxy-1-(4-methoxy-2-methylpiperidin-1-yl)-4-methylpentan-3-one?
The InChIKey is AZZYPDMBRLMYQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-11-10-12(17-4)6-8-15(11)9-7-13(16)14(2,3)18-5/h11-12H,6-10H2,1-5H3.
What are the key properties of 4-methoxy-1-(4-methoxy-2-methylpiperidin-1-yl)-4-methylpentan-3-one?
4-methoxy-1-(4-methoxy-2-methylpiperidin-1-yl)-4-methylpentan-3-one has a molecular weight of 257.37 g/mol, XLogP of 1.87, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-(4-methoxy-2-methylpiperidin-1-yl)-4-methylpentan-3-one is sourced from PubChem (CID 114229025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).