4-(1-fluoro-3-methylbut-2-enyl)piperidine

C10H18FN — CID 112563695

IUPAC4-(1-fluoro-3-methylbut-2-enyl)piperidine
SMILESCC(C)=CC(F)C1CCNCC1
InChIInChI=1S/C10H18FN/c1-8(2)7-10(11)9-3-5-12-6-4-9/h7,9-10,12H,3-6H2,1-2H3
InChIKeyLXQJRBVHAPVCHF-UHFFFAOYSA-N
MW171.26 g/mol
LogP2.29
Rot. Bonds2

About 4-(1-fluoro-3-methylbut-2-enyl)piperidine

4-(1-fluoro-3-methylbut-2-enyl)piperidine (PubChem CID 112563695) has the molecular formula C10H18FN and a molecular weight of 171.26 g/mol. Its IUPAC name is 4-(1-fluoro-3-methylbut-2-enyl)piperidine.

Molecular Properties

Compound Name4-(1-fluoro-3-methylbut-2-enyl)piperidine
PubChem CID112563695
Molecular FormulaC10H18FN
Molecular Weight171.26 g/mol
Exact Mass171.14
IUPAC Name4-(1-fluoro-3-methylbut-2-enyl)piperidine
SMILESCC(C)=CC(F)C1CCNCC1
InChIInChI=1S/C10H18FN/c1-8(2)7-10(11)9-3-5-12-6-4-9/h7,9-10,12H,3-6H2,1-2H3
InChIKeyLXQJRBVHAPVCHF-UHFFFAOYSA-N
XLogP2.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-(1-fluoro-3-methylbut-2-enyl)piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Pyridine, 1,2,3,6-tetrahydro-4-(4-piperidinyl)-
CID 5231471
4-[4-(Trifluoromethyl)cyclohexa-1,5-dien-1-yl]piperidine
CID 68363150
4-[(3E)-3-fluorohexa-1,3,5-trien-2-yl]piperidine
CID 89162763
4-(4-Fluorocyclohexen-1-yl)piperidine
CID 89168221
4-[(E)-1-fluorohex-3-en-3-yl]piperidine
CID 89168225
4-(4-Fluorocyclohexa-1,5-dien-1-yl)piperidine
CID 89358489
4-(4-Fluorocyclohexa-1,3-dien-1-yl)piperidine
CID 89358844
(Z)-N-ethyl-2-[(2S)-2-fluoropentan-3-yl]pent-3-en-1-amine
CID 90261572
N-[(4-fluoro-2-methylcyclohexa-2,4-dien-1-yl)methyl]-2-methylpropan-1-amine
CID 90831730
4-[1-(2-Fluoroethyl)piperidin-4-yl]hexa-2,4-dien-1-amine
CID 91377758
7-(fluoromethyl)-N,2,8-trimethylnon-6-en-1-amine
CID 123264703
3-ethyl-6-fluoro-N-[(4-methylcyclohexa-1,3-dien-1-yl)methyl]hept-4-en-1-amine
CID 123272222

Frequently Asked Questions

What is the IUPAC name of 4-(1-fluoro-3-methylbut-2-enyl)piperidine?
The IUPAC name of 4-(1-fluoro-3-methylbut-2-enyl)piperidine (CID 112563695) is 4-(1-fluoro-3-methylbut-2-enyl)piperidine.
What is the SMILES notation for 4-(1-fluoro-3-methylbut-2-enyl)piperidine?
The canonical SMILES for 4-(1-fluoro-3-methylbut-2-enyl)piperidine is CC(C)=CC(F)C1CCNCC1.
What is the InChIKey of 4-(1-fluoro-3-methylbut-2-enyl)piperidine?
The InChIKey is LXQJRBVHAPVCHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FN/c1-8(2)7-10(11)9-3-5-12-6-4-9/h7,9-10,12H,3-6H2,1-2H3.
What are the key properties of 4-(1-fluoro-3-methylbut-2-enyl)piperidine?
4-(1-fluoro-3-methylbut-2-enyl)piperidine has a molecular weight of 171.26 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-fluoro-3-methylbut-2-enyl)piperidine is sourced from PubChem (CID 112563695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).