1-(1-but-1-en-2-ylpiperidin-4-yl)ethanone

C11H19NO — CID 142835649

IUPAC1-(1-but-1-en-2-ylpiperidin-4-yl)ethanone
SMILESC=C(CC)N1CCC(C(C)=O)CC1
InChIInChI=1S/C11H19NO/c1-4-9(2)12-7-5-11(6-8-12)10(3)13/h11H,2,4-8H2,1,3H3
InChIKeyNOGLEYJEGCLICM-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.21
Rot. Bonds3

About 1-(1-but-1-en-2-ylpiperidin-4-yl)ethanone

1-(1-but-1-en-2-ylpiperidin-4-yl)ethanone (PubChem CID 142835649) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 1-(1-but-1-en-2-ylpiperidin-4-yl)ethanone.

Molecular Properties

Compound Name1-(1-but-1-en-2-ylpiperidin-4-yl)ethanone
PubChem CID142835649
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name1-(1-but-1-en-2-ylpiperidin-4-yl)ethanone
SMILESC=C(CC)N1CCC(C(C)=O)CC1
InChIInChI=1S/C11H19NO/c1-4-9(2)12-7-5-11(6-8-12)10(3)13/h11H,2,4-8H2,1,3H3
InChIKeyNOGLEYJEGCLICM-UHFFFAOYSA-N
XLogP2.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(3,3,3-Trifluoroprop-1-en-2-yl)piperidin-4-yl]ethanone
CID 142835644
1-[4-Methyl-1-(3-methylbut-1-en-2-yl)piperidin-4-yl]ethanone
CID 57798097
1-(3-Methylbut-1-en-2-yl)piperidine-4-carboxamide
CID 88993432
1-(1-Prop-1-en-2-ylpiperidin-4-yl)ethanone
CID 89174188
1,3-Dimethyl-2-methylidenepiperidin-4-one
CID 91447516
3-Methyl-6-(1-methyl-2-methylidenepiperidin-4-yl)hex-5-en-2-one
CID 91555167
3-(4-Methyl-3-oxopiperidin-1-yl)but-3-enenitrile
CID 121372330
2,2-Dimethyl-1-(1-prop-1-en-2-ylpiperidin-4-yl)propan-1-one
CID 122675458
2-Methyl-1-(1-prop-1-en-2-ylpiperidin-4-yl)propan-1-one
CID 122675460
2,2-Dimethyl-1-(4-methyl-1-prop-1-en-2-ylpiperidin-4-yl)propan-1-one
CID 122675594
1-(4-Ethyl-1-prop-1-en-2-ylpiperidin-4-yl)-2,2-dimethylpropan-1-one
CID 122675600
1-But-1-en-2-ylpiperidine-4-carbaldehyde
CID 126751708

Frequently Asked Questions

What is the IUPAC name of 1-(1-but-1-en-2-ylpiperidin-4-yl)ethanone?
The IUPAC name of 1-(1-but-1-en-2-ylpiperidin-4-yl)ethanone (CID 142835649) is 1-(1-but-1-en-2-ylpiperidin-4-yl)ethanone.
What is the SMILES notation for 1-(1-but-1-en-2-ylpiperidin-4-yl)ethanone?
The canonical SMILES for 1-(1-but-1-en-2-ylpiperidin-4-yl)ethanone is C=C(CC)N1CCC(C(C)=O)CC1.
What is the InChIKey of 1-(1-but-1-en-2-ylpiperidin-4-yl)ethanone?
The InChIKey is NOGLEYJEGCLICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-4-9(2)12-7-5-11(6-8-12)10(3)13/h11H,2,4-8H2,1,3H3.
What are the key properties of 1-(1-but-1-en-2-ylpiperidin-4-yl)ethanone?
1-(1-but-1-en-2-ylpiperidin-4-yl)ethanone has a molecular weight of 181.28 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-but-1-en-2-ylpiperidin-4-yl)ethanone is sourced from PubChem (CID 142835649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).