1-(2-ethylpiperidin-1-yl)pentan-1-one

C12H23NO — CID 3041221

IUPAC1-(2-ethylpiperidin-1-yl)pentan-1-one
SMILESCCCCC(=O)N1CCCCC1CC
InChIInChI=1S/C12H23NO/c1-3-5-9-12(14)13-10-7-6-8-11(13)4-2/h11H,3-10H2,1-2H3
InChIKeySGYFBSPUNFOHHY-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.97
Rot. Bonds4

About 1-(2-ethylpiperidin-1-yl)pentan-1-one

1-(2-ethylpiperidin-1-yl)pentan-1-one (PubChem CID 3041221) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 1-(2-ethylpiperidin-1-yl)pentan-1-one.

Molecular Properties

Compound Name1-(2-ethylpiperidin-1-yl)pentan-1-one
PubChem CID3041221
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name1-(2-ethylpiperidin-1-yl)pentan-1-one
SMILESCCCCC(=O)N1CCCCC1CC
InChIInChI=1S/C12H23NO/c1-3-5-9-12(14)13-10-7-6-8-11(13)4-2/h11H,3-10H2,1-2H3
InChIKeySGYFBSPUNFOHHY-UHFFFAOYSA-N
XLogP2.97
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-(2-ethylpiperidin-1-yl)-6-oxohexanoic acid
CID 43447225
4-chloro-1-(2-ethylpiperidin-1-yl)butan-1-one
CID 3613562
6-amino-1-(2-ethylpiperidin-1-yl)hexan-1-one
CID 43266540
1-(2-ethylpyrrolidin-1-yl)butan-1-one
CID 63083979
1-[2-(methylsulfonylmethyl)piperidin-1-yl]octan-1-one
CID 126818714
1-[2-(chloromethyl)piperidin-1-yl]octan-1-one
CID 63395144
1-[(2R)-2-ethylpiperidin-1-yl]propan-1-one
CID 40538705
6-(2-ethylpyrrolidin-1-yl)-6-oxohexanoic acid
CID 60973387
1-(2-ethylazepan-1-yl)-3-methoxypropan-1-one
CID 167776443
4-(2-ethylazepan-1-yl)-4-oxobutanoic acid
CID 115910484
1-[(2R)-2-(aminomethyl)piperidin-1-yl]tridecan-1-one
CID 129384436
1-[2-(aminomethyl)piperidin-1-yl]decan-1-one
CID 65428281

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylpiperidin-1-yl)pentan-1-one?
The IUPAC name of 1-(2-ethylpiperidin-1-yl)pentan-1-one (CID 3041221) is 1-(2-ethylpiperidin-1-yl)pentan-1-one.
What is the SMILES notation for 1-(2-ethylpiperidin-1-yl)pentan-1-one?
The canonical SMILES for 1-(2-ethylpiperidin-1-yl)pentan-1-one is CCCCC(=O)N1CCCCC1CC.
What is the InChIKey of 1-(2-ethylpiperidin-1-yl)pentan-1-one?
The InChIKey is SGYFBSPUNFOHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-3-5-9-12(14)13-10-7-6-8-11(13)4-2/h11H,3-10H2,1-2H3.
What are the key properties of 1-(2-ethylpiperidin-1-yl)pentan-1-one?
1-(2-ethylpiperidin-1-yl)pentan-1-one has a molecular weight of 197.32 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylpiperidin-1-yl)pentan-1-one is sourced from PubChem (CID 3041221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).