ethane;1-(3-fluoroprop-1-en-2-yl)-4-prop-1-en-2-ylpiperidine

C13H24FN — CID 142835624

IUPACethane;1-(3-fluoroprop-1-en-2-yl)-4-prop-1-en-2-ylpiperidine
SMILESC=C(C)C1CCN(C(=C)CF)CC1.CC
InChIInChI=1S/C11H18FN.C2H6/c1-9(2)11-4-6-13(7-5-11)10(3)8-12;1-2/h11H,1,3-8H2,2H3;1-2H3
InChIKeyFHFLELVTADZSTO-UHFFFAOYSA-N
MW213.34 g/mol
LogP3.78
Rot. Bonds3

About ethane;1-(3-fluoroprop-1-en-2-yl)-4-prop-1-en-2-ylpiperidine

ethane;1-(3-fluoroprop-1-en-2-yl)-4-prop-1-en-2-ylpiperidine (PubChem CID 142835624) has the molecular formula C13H24FN and a molecular weight of 213.34 g/mol. Its IUPAC name is ethane;1-(3-fluoroprop-1-en-2-yl)-4-prop-1-en-2-ylpiperidine.

Molecular Properties

Compound Nameethane;1-(3-fluoroprop-1-en-2-yl)-4-prop-1-en-2-ylpiperidine
PubChem CID142835624
Molecular FormulaC13H24FN
Molecular Weight213.34 g/mol
Exact Mass213.19
IUPAC Nameethane;1-(3-fluoroprop-1-en-2-yl)-4-prop-1-en-2-ylpiperidine
SMILESC=C(C)C1CCN(C(=C)CF)CC1.CC
InChIInChI=1S/C11H18FN.C2H6/c1-9(2)11-4-6-13(7-5-11)10(3)8-12;1-2/h11H,1,3-8H2,2H3;1-2H3
InChIKeyFHFLELVTADZSTO-UHFFFAOYSA-N
XLogP3.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.34
LogP ≤ 53.78
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

1-(4-Fluorobutyl)-4-prop-1-en-2-ylpiperidine
CID 89140664
1-Ethyl-4-(1-fluoroethenyl)piperidine
CID 91012854
4-Fluoro-1-(3-methylbut-1-en-2-yl)piperidine
CID 118185526
4-Fluoro-4-propan-2-yl-1-prop-1-en-2-ylpiperidine
CID 122578819
3-Fluoro-4-methyl-1-(3-methylidenepentyl)piperidine
CID 135273853
(3R,4S)-3-fluoro-1-methyl-4-prop-1-en-2-ylpiperidine
CID 143775541
4-[(E)-but-2-en-2-yl]-1-(3-fluoro-3-methylbut-1-en-2-yl)piperidine
CID 144859662
4-(Difluoromethyl)-1-(3-methylbut-1-en-2-yl)piperidine
CID 145027172
4-Fluoro-1-(4-methylhexa-1,2-dien-3-yl)piperidine
CID 145522850
3,3-Difluoro-1-propan-2-yl-4-prop-1-en-2-ylpiperidine
CID 155034405
2,2-Difluoro-1-methyl-4-prop-1-en-2-ylpiperidine
CID 155037749
N-(fluoromethyl)-4-methyl-N-pent-1-en-2-ylpiperidin-1-amine
CID 155274560

Frequently Asked Questions

What is the IUPAC name of ethane;1-(3-fluoroprop-1-en-2-yl)-4-prop-1-en-2-ylpiperidine?
The IUPAC name of ethane;1-(3-fluoroprop-1-en-2-yl)-4-prop-1-en-2-ylpiperidine (CID 142835624) is ethane;1-(3-fluoroprop-1-en-2-yl)-4-prop-1-en-2-ylpiperidine.
What is the SMILES notation for ethane;1-(3-fluoroprop-1-en-2-yl)-4-prop-1-en-2-ylpiperidine?
The canonical SMILES for ethane;1-(3-fluoroprop-1-en-2-yl)-4-prop-1-en-2-ylpiperidine is C=C(C)C1CCN(C(=C)CF)CC1.CC.
What is the InChIKey of ethane;1-(3-fluoroprop-1-en-2-yl)-4-prop-1-en-2-ylpiperidine?
The InChIKey is FHFLELVTADZSTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FN.C2H6/c1-9(2)11-4-6-13(7-5-11)10(3)8-12;1-2/h11H,1,3-8H2,2H3;1-2H3.
What are the key properties of ethane;1-(3-fluoroprop-1-en-2-yl)-4-prop-1-en-2-ylpiperidine?
ethane;1-(3-fluoroprop-1-en-2-yl)-4-prop-1-en-2-ylpiperidine has a molecular weight of 213.34 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(3-fluoroprop-1-en-2-yl)-4-prop-1-en-2-ylpiperidine is sourced from PubChem (CID 142835624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).