1-(2-ethylpiperidin-1-yl)pent-4-en-1-one

C12H21NO — CID 137321053

IUPAC1-(2-ethylpiperidin-1-yl)pent-4-en-1-one
SMILESC=CCCC(=O)N1CCCCC1CC
InChIInChI=1S/C12H21NO/c1-3-5-9-12(14)13-10-7-6-8-11(13)4-2/h3,11H,1,4-10H2,2H3
InChIKeyYXFRBFRCIQPIRZ-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.74
Rot. Bonds4

About 1-(2-ethylpiperidin-1-yl)pent-4-en-1-one

1-(2-ethylpiperidin-1-yl)pent-4-en-1-one (PubChem CID 137321053) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 1-(2-ethylpiperidin-1-yl)pent-4-en-1-one.

Molecular Properties

Compound Name1-(2-ethylpiperidin-1-yl)pent-4-en-1-one
PubChem CID137321053
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name1-(2-ethylpiperidin-1-yl)pent-4-en-1-one
SMILESC=CCCC(=O)N1CCCCC1CC
InChIInChI=1S/C12H21NO/c1-3-5-9-12(14)13-10-7-6-8-11(13)4-2/h3,11H,1,4-10H2,2H3
InChIKeyYXFRBFRCIQPIRZ-UHFFFAOYSA-N
XLogP2.74
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

ethane;1-(2-prop-2-enylpiperidin-1-yl)pent-4-en-1-one
CID 168982127
1-[2-(methylaminomethyl)piperidin-1-yl]pent-4-en-1-one
CID 63249502
1-[2-(hydroxymethyl)pyrrolidin-1-yl]pent-4-en-1-one
CID 14788288
1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pent-4-en-1-one
CID 10679035
1-(2-ethylpiperidin-1-yl)pentan-1-one
CID 3041221
1-[(2R)-2-ethylpiperidin-1-yl]propan-1-one
CID 40538705
1-(2-ethylazepan-1-yl)-3-methoxypropan-1-one
CID 167776443
4-(2-ethylazepan-1-yl)-4-oxobutanoic acid
CID 115910484
1-(2-ethylpyrrolidin-1-yl)butan-1-one
CID 63083979
6-(2-ethylpiperidin-1-yl)-6-oxohexanoic acid
CID 43447225
3-cyclohexyl-1-[(2R)-2-ethylpiperidin-1-yl]propan-1-one
CID 890408
4-chloro-1-(2-ethylpiperidin-1-yl)butan-1-one
CID 3613562

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylpiperidin-1-yl)pent-4-en-1-one?
The IUPAC name of 1-(2-ethylpiperidin-1-yl)pent-4-en-1-one (CID 137321053) is 1-(2-ethylpiperidin-1-yl)pent-4-en-1-one.
What is the SMILES notation for 1-(2-ethylpiperidin-1-yl)pent-4-en-1-one?
The canonical SMILES for 1-(2-ethylpiperidin-1-yl)pent-4-en-1-one is C=CCCC(=O)N1CCCCC1CC.
What is the InChIKey of 1-(2-ethylpiperidin-1-yl)pent-4-en-1-one?
The InChIKey is YXFRBFRCIQPIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-3-5-9-12(14)13-10-7-6-8-11(13)4-2/h3,11H,1,4-10H2,2H3.
What are the key properties of 1-(2-ethylpiperidin-1-yl)pent-4-en-1-one?
1-(2-ethylpiperidin-1-yl)pent-4-en-1-one has a molecular weight of 195.31 g/mol, XLogP of 2.74, 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)pent-4-en-1-one is sourced from PubChem (CID 137321053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).