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

C13H25NO — CID 70906866

IUPAC1-(4-ethylpiperidin-1-yl)-3,3-dimethylbutan-1-one
SMILESCCC1CCN(C(=O)CC(C)(C)C)CC1
InChIInChI=1S/C13H25NO/c1-5-11-6-8-14(9-7-11)12(15)10-13(2,3)4/h11H,5-10H2,1-4H3
InChIKeyCQVPUDDQRNUHAC-UHFFFAOYSA-N
MW211.35 g/mol
LogP3.07
Rot. Bonds2

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

1-(4-ethylpiperidin-1-yl)-3,3-dimethylbutan-1-one (PubChem CID 70906866) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 1-(4-ethylpiperidin-1-yl)-3,3-dimethylbutan-1-one.

Molecular Properties

Compound Name1-(4-ethylpiperidin-1-yl)-3,3-dimethylbutan-1-one
PubChem CID70906866
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name1-(4-ethylpiperidin-1-yl)-3,3-dimethylbutan-1-one
SMILESCCC1CCN(C(=O)CC(C)(C)C)CC1
InChIInChI=1S/C13H25NO/c1-5-11-6-8-14(9-7-11)12(15)10-13(2,3)4/h11H,5-10H2,1-4H3
InChIKeyCQVPUDDQRNUHAC-UHFFFAOYSA-N
XLogP3.07
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[3-(2-bromoethyl)pyrrolidin-1-yl]-3,3-dimethylbutan-1-one
CID 114801720
3-(tert-butylamino)-1-(4-ethylpiperidin-1-yl)propan-1-one
CID 54873639
3-(4-ethylpiperidin-1-yl)-2,2-dimethyl-3-oxopropanoic acid
CID 82821371
1-(4-ethylpiperidin-1-yl)-2-(methylamino)ethanone
CID 60963767
1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one
CID 62918429
2-[4-[[1-(3,3-dimethylbutanoyl)piperidin-4-yl]methyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 140912213
3-(dimethylamino)-1-(4-ethylpiperidin-1-yl)propan-1-one
CID 58662028
1-(4-ethylpiperidin-1-yl)octan-1-one
CID 166490088
3,3-dimethyl-1-[4-(2-oxopropoxy)piperidin-1-yl]butan-1-one
CID 70966601
1-[3-(aminomethyl)-4-methylpiperidin-1-yl]-3,3-dimethylbutan-1-one
CID 114960628
1-(4-aminopiperazin-1-yl)-3,3-dimethylbutan-1-one
CID 144808257
1-[3-(3,3-dimethylbutanoyl)-3,9-diazaspiro[5.5]undecan-9-yl]-3,3-dimethylbutan-1-one
CID 166255184

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylpiperidin-1-yl)-3,3-dimethylbutan-1-one?
The IUPAC name of 1-(4-ethylpiperidin-1-yl)-3,3-dimethylbutan-1-one (CID 70906866) is 1-(4-ethylpiperidin-1-yl)-3,3-dimethylbutan-1-one.
What is the SMILES notation for 1-(4-ethylpiperidin-1-yl)-3,3-dimethylbutan-1-one?
The canonical SMILES for 1-(4-ethylpiperidin-1-yl)-3,3-dimethylbutan-1-one is CCC1CCN(C(=O)CC(C)(C)C)CC1.
What is the InChIKey of 1-(4-ethylpiperidin-1-yl)-3,3-dimethylbutan-1-one?
The InChIKey is CQVPUDDQRNUHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-5-11-6-8-14(9-7-11)12(15)10-13(2,3)4/h11H,5-10H2,1-4H3.
What are the key properties of 1-(4-ethylpiperidin-1-yl)-3,3-dimethylbutan-1-one?
1-(4-ethylpiperidin-1-yl)-3,3-dimethylbutan-1-one has a molecular weight of 211.35 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylpiperidin-1-yl)-3,3-dimethylbutan-1-one is sourced from PubChem (CID 70906866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).