1-(4-ethylpiperidin-4-yl)-4-methylpent-4-en-1-one

C13H23NO — CID 114477925

IUPAC1-(4-ethylpiperidin-4-yl)-4-methylpent-4-en-1-one
SMILESC=C(C)CCC(=O)C1(CC)CCNCC1
InChIInChI=1S/C13H23NO/c1-4-13(7-9-14-10-8-13)12(15)6-5-11(2)3/h14H,2,4-10H2,1,3H3
InChIKeyVGSPLMMDXQFTIR-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.69
Rot. Bonds5

About 1-(4-ethylpiperidin-4-yl)-4-methylpent-4-en-1-one

1-(4-ethylpiperidin-4-yl)-4-methylpent-4-en-1-one (PubChem CID 114477925) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 1-(4-ethylpiperidin-4-yl)-4-methylpent-4-en-1-one.

Molecular Properties

Compound Name1-(4-ethylpiperidin-4-yl)-4-methylpent-4-en-1-one
PubChem CID114477925
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name1-(4-ethylpiperidin-4-yl)-4-methylpent-4-en-1-one
SMILESC=C(C)CCC(=O)C1(CC)CCNCC1
InChIInChI=1S/C13H23NO/c1-4-13(7-9-14-10-8-13)12(15)6-5-11(2)3/h14H,2,4-10H2,1,3H3
InChIKeyVGSPLMMDXQFTIR-UHFFFAOYSA-N
XLogP2.69
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(3S,4E)-4-(fluoromethylidene)-3-methylpiperidin-3-yl]ethanone
CID 176883295
2-[2-(Ethylamino)ethyl]-4,4-dimethylcyclohex-2-en-1-one
CID 18320250
2-[2-(Ethylamino)ethyl]-4,4-dimethyl-6-methylidenecyclohex-2-en-1-one
CID 18320430
4-Methylidene-8-azaspiro[4.5]decan-2-one
CID 19887356
3-Methyl-1-piperidin-4-ylbut-3-en-1-one
CID 20735305
5,5-Dimethyl-2-piperidin-3-ylcyclohex-2-en-1-one
CID 22712717
1-(4-Methylpiperidin-4-yl)hexan-1-one
CID 66633350
2-Methyl-5-piperidin-4-ylpent-1-en-3-one
CID 116563372
2-Amino-1-[4-(4-methylidenehexa-1,5-dien-2-yl)piperidin-4-yl]propan-1-one
CID 123800820
(5Z)-5-(dimethylaminomethylidene)-3-azaspiro[5.5]undecan-9-one
CID 141347107
1-[(3R)-3-prop-2-enylpiperidin-3-yl]pentan-3-one
CID 153493125
3-Tert-butyl-2-methyl-8-azaspiro[4.5]dec-2-en-4-one
CID 159528683

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylpiperidin-4-yl)-4-methylpent-4-en-1-one?
The IUPAC name of 1-(4-ethylpiperidin-4-yl)-4-methylpent-4-en-1-one (CID 114477925) is 1-(4-ethylpiperidin-4-yl)-4-methylpent-4-en-1-one.
What is the SMILES notation for 1-(4-ethylpiperidin-4-yl)-4-methylpent-4-en-1-one?
The canonical SMILES for 1-(4-ethylpiperidin-4-yl)-4-methylpent-4-en-1-one is C=C(C)CCC(=O)C1(CC)CCNCC1.
What is the InChIKey of 1-(4-ethylpiperidin-4-yl)-4-methylpent-4-en-1-one?
The InChIKey is VGSPLMMDXQFTIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-4-13(7-9-14-10-8-13)12(15)6-5-11(2)3/h14H,2,4-10H2,1,3H3.
What are the key properties of 1-(4-ethylpiperidin-4-yl)-4-methylpent-4-en-1-one?
1-(4-ethylpiperidin-4-yl)-4-methylpent-4-en-1-one has a molecular weight of 209.33 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylpiperidin-4-yl)-4-methylpent-4-en-1-one is sourced from PubChem (CID 114477925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).