1-methoxy-4-piperidin-2-ylbutan-2-one

C10H19NO2 — CID 116563611

IUPAC1-methoxy-4-piperidin-2-ylbutan-2-one
SMILESCOCC(=O)CCC1CCCCN1
InChIInChI=1S/C10H19NO2/c1-13-8-10(12)6-5-9-4-2-3-7-11-9/h9,11H,2-8H2,1H3
InChIKeyNCXWELJIAWWEBE-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.12
Rot. Bonds5

About 1-methoxy-4-piperidin-2-ylbutan-2-one

1-methoxy-4-piperidin-2-ylbutan-2-one (PubChem CID 116563611) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 1-methoxy-4-piperidin-2-ylbutan-2-one.

Molecular Properties

Compound Name1-methoxy-4-piperidin-2-ylbutan-2-one
PubChem CID116563611
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name1-methoxy-4-piperidin-2-ylbutan-2-one
SMILESCOCC(=O)CCC1CCCCN1
InChIInChI=1S/C10H19NO2/c1-13-8-10(12)6-5-9-4-2-3-7-11-9/h9,11H,2-8H2,1H3
InChIKeyNCXWELJIAWWEBE-UHFFFAOYSA-N
XLogP1.12
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopentyl 3-piperidin-2-ylpropanoate
CID 62215567
3-(azepan-2-yl)propanoic acid
CID 69475849
1-(2-methoxyphenyl)-4-piperidin-2-ylbutan-2-one
CID 116563786
N-methyl-3-[(2S)-piperidin-2-yl]propanamide
CID 94374343
methyl 4-piperidin-2-ylbutanoate;hydrochloride
CID 66772062
2-methoxy-N-(piperidin-2-ylmethyl)-N-propan-2-ylacetamide
CID 106626574
1-(2-methylphenyl)-4-piperidin-2-ylbutan-2-one
CID 116563692
(2S)-2-(3-methoxypropyl)piperidine
CID 40729361
1-(2-fluoro-3-methoxyphenyl)-4-piperidin-2-ylbutan-2-one
CID 116563754
methyl 3-(2-piperidin-2-ylethoxy)propanoate;hydrochloride
CID 56830628
methyl N-methyl-N-(2-piperidin-2-ylethyl)carbamate
CID 43187204
1-(2,5-dimethylmorpholin-4-yl)-3-piperidin-2-ylpropan-1-one
CID 62211391

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-piperidin-2-ylbutan-2-one?
The IUPAC name of 1-methoxy-4-piperidin-2-ylbutan-2-one (CID 116563611) is 1-methoxy-4-piperidin-2-ylbutan-2-one.
What is the SMILES notation for 1-methoxy-4-piperidin-2-ylbutan-2-one?
The canonical SMILES for 1-methoxy-4-piperidin-2-ylbutan-2-one is COCC(=O)CCC1CCCCN1.
What is the InChIKey of 1-methoxy-4-piperidin-2-ylbutan-2-one?
The InChIKey is NCXWELJIAWWEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-13-8-10(12)6-5-9-4-2-3-7-11-9/h9,11H,2-8H2,1H3.
What are the key properties of 1-methoxy-4-piperidin-2-ylbutan-2-one?
1-methoxy-4-piperidin-2-ylbutan-2-one has a molecular weight of 185.27 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-piperidin-2-ylbutan-2-one is sourced from PubChem (CID 116563611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).