4-ethyl-1-methyl-4-(3-methylbut-3-enyl)piperidine

C13H25N — CID 91034487

IUPAC4-ethyl-1-methyl-4-(3-methylbut-3-enyl)piperidine
SMILESC=C(C)CCC1(CC)CCN(C)CC1
InChIInChI=1S/C13H25N/c1-5-13(7-6-12(2)3)8-10-14(4)11-9-13/h2,5-11H2,1,3-4H3
InChIKeyJZILFMNTRYQTBR-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.46
Rot. Bonds4

About 4-ethyl-1-methyl-4-(3-methylbut-3-enyl)piperidine

4-ethyl-1-methyl-4-(3-methylbut-3-enyl)piperidine (PubChem CID 91034487) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is 4-ethyl-1-methyl-4-(3-methylbut-3-enyl)piperidine.

Molecular Properties

Compound Name4-ethyl-1-methyl-4-(3-methylbut-3-enyl)piperidine
PubChem CID91034487
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name4-ethyl-1-methyl-4-(3-methylbut-3-enyl)piperidine
SMILESC=C(C)CCC1(CC)CCN(C)CC1
InChIInChI=1S/C13H25N/c1-5-13(7-6-12(2)3)8-10-14(4)11-9-13/h2,5-11H2,1,3-4H3
InChIKeyJZILFMNTRYQTBR-UHFFFAOYSA-N
XLogP3.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.46
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

(3S)-1-(2,2-dimethylpropyl)-3-fluoro-3-prop-2-enylpiperidine
CID 135010029
4-(5-Fluoro-4-methylidenehexa-1,5-dien-2-yl)-1-methylpiperidine
CID 134365582
10,10-Difluoro-3-methylidene-8-propyl-8-azaspiro[4.5]decane;ethane
CID 154670349
(4E)-1,2-ditert-butyl-4-(fluoromethylidene)piperidine
CID 166970164
(4E)-4-(fluoromethylidene)-1,3-dimethyl-3-propan-2-ylpiperidine
CID 176568518
(3S)-4-(difluoromethylidene)-3-ethyl-1,3-dimethylpiperidine
CID 176919471
6-[(2Z)-2-(fluoromethylidene)-5-methylhexyl]-6-azaspiro[2.5]octane
CID 176954866
4-(1,1-Difluoropropyl)-1-(2-fluorobutyl)-4-prop-1-en-2-ylpiperidine
CID 177031700
3-Fluoro-1-methyl-3-prop-1-en-2-ylpiperidine
CID 177187453
(3S,5Z)-5-(fluoromethylidene)-1,3-dimethyl-3-(2-methylpropyl)piperidine
CID 178101244
(3S)-1-ethyl-4-(fluoromethyl)-3-methyl-3-(2-methylprop-2-enyl)piperidine
CID 178101491
(3S,4E)-1-cyclopropyl-3-ethyl-4-(fluoromethylidene)-3-methylpiperidine
CID 178101758

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-methyl-4-(3-methylbut-3-enyl)piperidine?
The IUPAC name of 4-ethyl-1-methyl-4-(3-methylbut-3-enyl)piperidine (CID 91034487) is 4-ethyl-1-methyl-4-(3-methylbut-3-enyl)piperidine.
What is the SMILES notation for 4-ethyl-1-methyl-4-(3-methylbut-3-enyl)piperidine?
The canonical SMILES for 4-ethyl-1-methyl-4-(3-methylbut-3-enyl)piperidine is C=C(C)CCC1(CC)CCN(C)CC1.
What is the InChIKey of 4-ethyl-1-methyl-4-(3-methylbut-3-enyl)piperidine?
The InChIKey is JZILFMNTRYQTBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-5-13(7-6-12(2)3)8-10-14(4)11-9-13/h2,5-11H2,1,3-4H3.
What are the key properties of 4-ethyl-1-methyl-4-(3-methylbut-3-enyl)piperidine?
4-ethyl-1-methyl-4-(3-methylbut-3-enyl)piperidine has a molecular weight of 195.35 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-methyl-4-(3-methylbut-3-enyl)piperidine is sourced from PubChem (CID 91034487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).