4-(3-ethylpiperidin-1-yl)-3,3-dimethylbutan-2-one

C13H25NO — CID 66453803

IUPAC4-(3-ethylpiperidin-1-yl)-3,3-dimethylbutan-2-one
SMILESCCC1CCCN(CC(C)(C)C(C)=O)C1
InChIInChI=1S/C13H25NO/c1-5-12-7-6-8-14(9-12)10-13(3,4)11(2)15/h12H,5-10H2,1-4H3
InChIKeyQQVBIUIVZHMIEF-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.72
Rot. Bonds4

About 4-(3-ethylpiperidin-1-yl)-3,3-dimethylbutan-2-one

4-(3-ethylpiperidin-1-yl)-3,3-dimethylbutan-2-one (PubChem CID 66453803) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 4-(3-ethylpiperidin-1-yl)-3,3-dimethylbutan-2-one.

Molecular Properties

Compound Name4-(3-ethylpiperidin-1-yl)-3,3-dimethylbutan-2-one
PubChem CID66453803
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name4-(3-ethylpiperidin-1-yl)-3,3-dimethylbutan-2-one
SMILESCCC1CCCN(CC(C)(C)C(C)=O)C1
InChIInChI=1S/C13H25NO/c1-5-12-7-6-8-14(9-12)10-13(3,4)11(2)15/h12H,5-10H2,1-4H3
InChIKeyQQVBIUIVZHMIEF-UHFFFAOYSA-N
XLogP2.72
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-ethylpiperidin-1-yl)-3,3-dimethylbutan-2-one
CID 66453593
1-(3-ethylpiperidin-1-yl)-2-methylbutan-2-ol
CID 114495376
1-(3-ethylpiperidin-1-yl)-2,3-dimethylbutan-2-ol
CID 114447622
N-ethyl-3-(3-ethylpiperidin-1-yl)-2,2-dimethylpropan-1-amine
CID 62257877
4-(azepan-1-yl)-3,3-dimethylbutan-2-one
CID 59854594
2-[(3-ethylpiperidin-1-yl)methyl]-2-methylpentanal
CID 62276202
N-ethyl-4-(3-ethylpiperidin-1-yl)-3,3-dimethylbutan-2-amine
CID 66455139
1-(cyclobutylmethyl)-3-ethylpiperidine
CID 143174975
3-ethyl-1-(2,2,3,4-tetramethylpentyl)piperidine
CID 134317869
4-(3-ethylpiperidin-1-yl)-3,3-dimethylbutan-2-amine
CID 66454924
methyl 2-cyclopropyl-3-(3-ethylpiperidin-1-yl)-2-(methylamino)propanoate
CID 63911312
3-[3-[(cyclopropylamino)methyl]piperidin-1-yl]-2,2-dimethylpropanoic acid
CID 79630442

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethylpiperidin-1-yl)-3,3-dimethylbutan-2-one?
The IUPAC name of 4-(3-ethylpiperidin-1-yl)-3,3-dimethylbutan-2-one (CID 66453803) is 4-(3-ethylpiperidin-1-yl)-3,3-dimethylbutan-2-one.
What is the SMILES notation for 4-(3-ethylpiperidin-1-yl)-3,3-dimethylbutan-2-one?
The canonical SMILES for 4-(3-ethylpiperidin-1-yl)-3,3-dimethylbutan-2-one is CCC1CCCN(CC(C)(C)C(C)=O)C1.
What is the InChIKey of 4-(3-ethylpiperidin-1-yl)-3,3-dimethylbutan-2-one?
The InChIKey is QQVBIUIVZHMIEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-5-12-7-6-8-14(9-12)10-13(3,4)11(2)15/h12H,5-10H2,1-4H3.
What are the key properties of 4-(3-ethylpiperidin-1-yl)-3,3-dimethylbutan-2-one?
4-(3-ethylpiperidin-1-yl)-3,3-dimethylbutan-2-one has a molecular weight of 211.35 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethylpiperidin-1-yl)-3,3-dimethylbutan-2-one is sourced from PubChem (CID 66453803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).