4-fluoro-1-(3-methylbut-1-en-2-yl)piperidine

C10H18FN — CID 118185526

IUPAC4-fluoro-1-(3-methylbut-1-en-2-yl)piperidine
SMILESC=C(C(C)C)N1CCC(F)CC1
InChIInChI=1S/C10H18FN/c1-8(2)9(3)12-6-4-10(11)5-7-12/h8,10H,3-7H2,1-2H3
InChIKeyFHMGADBDZWBRJJ-UHFFFAOYSA-N
MW171.26 g/mol
LogP2.59
Rot. Bonds2

About 4-fluoro-1-(3-methylbut-1-en-2-yl)piperidine

4-fluoro-1-(3-methylbut-1-en-2-yl)piperidine (PubChem CID 118185526) has the molecular formula C10H18FN and a molecular weight of 171.26 g/mol. Its IUPAC name is 4-fluoro-1-(3-methylbut-1-en-2-yl)piperidine.

Molecular Properties

Compound Name4-fluoro-1-(3-methylbut-1-en-2-yl)piperidine
PubChem CID118185526
Molecular FormulaC10H18FN
Molecular Weight171.26 g/mol
Exact Mass171.14
IUPAC Name4-fluoro-1-(3-methylbut-1-en-2-yl)piperidine
SMILESC=C(C(C)C)N1CCC(F)CC1
InChIInChI=1S/C10H18FN/c1-8(2)9(3)12-6-4-10(11)5-7-12/h8,10H,3-7H2,1-2H3
InChIKeyFHMGADBDZWBRJJ-UHFFFAOYSA-N
XLogP2.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-But-1-en-2-yl-4,4-difluoropiperidine
CID 89104452
1-But-2-en-2-yl-4-fluoropiperidine
CID 91114057
4-Fluoro-4-propan-2-yl-1-prop-1-en-2-ylpiperidine
CID 122578819
1-But-1-en-2-yl-2-ethenylidene-5,5-difluoropiperidine
CID 124031511
1-(6-Fluorohex-1-en-2-yl)-4-methylpiperazine
CID 129029259
N-(2-fluoroethyl)-3-methyl-N-propylbut-1-en-2-amine
CID 130217215
N-(2-fluoro-2-methylpropyl)-N,3-dimethylbut-1-en-2-amine
CID 130436255
N-(2-fluoropropyl)-N,3-dimethylbut-1-en-2-amine
CID 132192306
4-fluoro-1-[(3E)-3-methylpenta-1,3-dien-2-yl]piperidine
CID 135265902
1-(3,3-Difluorobut-1-en-2-yl)piperidine
CID 142415656
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

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-(3-methylbut-1-en-2-yl)piperidine?
The IUPAC name of 4-fluoro-1-(3-methylbut-1-en-2-yl)piperidine (CID 118185526) is 4-fluoro-1-(3-methylbut-1-en-2-yl)piperidine.
What is the SMILES notation for 4-fluoro-1-(3-methylbut-1-en-2-yl)piperidine?
The canonical SMILES for 4-fluoro-1-(3-methylbut-1-en-2-yl)piperidine is C=C(C(C)C)N1CCC(F)CC1.
What is the InChIKey of 4-fluoro-1-(3-methylbut-1-en-2-yl)piperidine?
The InChIKey is FHMGADBDZWBRJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FN/c1-8(2)9(3)12-6-4-10(11)5-7-12/h8,10H,3-7H2,1-2H3.
What are the key properties of 4-fluoro-1-(3-methylbut-1-en-2-yl)piperidine?
4-fluoro-1-(3-methylbut-1-en-2-yl)piperidine has a molecular weight of 171.26 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-(3-methylbut-1-en-2-yl)piperidine is sourced from PubChem (CID 118185526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).