4-fluoro-2-[6-(2-methylprop-1-enyl)oxan-2-yl]-4-(2-methylpropyl)piperidine

C18H32FNO — CID 146488690

IUPAC4-fluoro-2-[6-(2-methylprop-1-enyl)oxan-2-yl]-4-(2-methylpropyl)piperidine
SMILESCC(C)=CC1CCCC(C2CC(F)(CC(C)C)CCN2)O1
InChIInChI=1S/C18H32FNO/c1-13(2)10-15-6-5-7-17(21-15)16-12-18(19,8-9-20-16)11-14(3)4/h10,14-17,20H,5-9,11-12H2,1-4H3
InChIKeyIPOFOMOMJCQBKV-UHFFFAOYSA-N
MW297.46 g/mol
LogP4.40
Rot. Bonds4

About 4-fluoro-2-[6-(2-methylprop-1-enyl)oxan-2-yl]-4-(2-methylpropyl)piperidine

4-fluoro-2-[6-(2-methylprop-1-enyl)oxan-2-yl]-4-(2-methylpropyl)piperidine (PubChem CID 146488690) has the molecular formula C18H32FNO and a molecular weight of 297.46 g/mol. Its IUPAC name is 4-fluoro-2-[6-(2-methylprop-1-enyl)oxan-2-yl]-4-(2-methylpropyl)piperidine.

Molecular Properties

Compound Name4-fluoro-2-[6-(2-methylprop-1-enyl)oxan-2-yl]-4-(2-methylpropyl)piperidine
PubChem CID146488690
Molecular FormulaC18H32FNO
Molecular Weight297.46 g/mol
Exact Mass297.25
IUPAC Name4-fluoro-2-[6-(2-methylprop-1-enyl)oxan-2-yl]-4-(2-methylpropyl)piperidine
SMILESCC(C)=CC1CCCC(C2CC(F)(CC(C)C)CCN2)O1
InChIInChI=1S/C18H32FNO/c1-13(2)10-15-6-5-7-17(21-15)16-12-18(19,8-9-20-16)11-14(3)4/h10,14-17,20H,5-9,11-12H2,1-4H3
InChIKeyIPOFOMOMJCQBKV-UHFFFAOYSA-N
XLogP4.40
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.46
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-fluoro-2-[6-(2-methylprop-1-enyl)oxan-2-yl]-4-(2-methylpropyl)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

5-[(6E)-6-[(2Z,4Z)-3-fluoro-2-methylhepta-2,4-dienoxy]nona-6,8-dienyl]-2-methylpiperidine
CID 139459237
3-[2-(Cyclohexen-1-yl)-2-fluoropropyl]morpholine
CID 106655073
3-[2-(Cyclohepten-1-yl)-2-fluoropropyl]morpholine
CID 106655074
3-[2-(Cycloocten-1-yl)-2-fluoropropyl]morpholine
CID 113860683
N-[2-(3,5-dimethylcyclopent-2-en-1-yl)oxyethyl]-3,7,11-trimethyldodecan-1-amine
CID 144804938
2-[[(3R)-3-methylcyclohexa-1,5-dien-1-yl]-(2-methylpropoxy)methyl]piperidine
CID 156168313
3-[2-Methyl-3-(1-oxaspiro[4.5]decan-2-yl)prop-2-enyl]morpholine
CID 102902837
1-(cyclohexen-1-yl)-2-cyclohexyl-2-ethoxy-N-ethylethanamine
CID 106654714
N-[1-(cyclohexen-1-yl)-2-cyclohexyl-2-ethoxyethyl]propan-1-amine
CID 106654715
6-[(2E,4E)-5-(4-ethyloxan-2-yl)-3-methylpenta-2,4-dienyl]-N,2,5-trimethyloxan-3-amine
CID 142548504

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[6-(2-methylprop-1-enyl)oxan-2-yl]-4-(2-methylpropyl)piperidine?
The IUPAC name of 4-fluoro-2-[6-(2-methylprop-1-enyl)oxan-2-yl]-4-(2-methylpropyl)piperidine (CID 146488690) is 4-fluoro-2-[6-(2-methylprop-1-enyl)oxan-2-yl]-4-(2-methylpropyl)piperidine.
What is the SMILES notation for 4-fluoro-2-[6-(2-methylprop-1-enyl)oxan-2-yl]-4-(2-methylpropyl)piperidine?
The canonical SMILES for 4-fluoro-2-[6-(2-methylprop-1-enyl)oxan-2-yl]-4-(2-methylpropyl)piperidine is CC(C)=CC1CCCC(C2CC(F)(CC(C)C)CCN2)O1.
What is the InChIKey of 4-fluoro-2-[6-(2-methylprop-1-enyl)oxan-2-yl]-4-(2-methylpropyl)piperidine?
The InChIKey is IPOFOMOMJCQBKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32FNO/c1-13(2)10-15-6-5-7-17(21-15)16-12-18(19,8-9-20-16)11-14(3)4/h10,14-17,20H,5-9,11-12H2,1-4H3.
What are the key properties of 4-fluoro-2-[6-(2-methylprop-1-enyl)oxan-2-yl]-4-(2-methylpropyl)piperidine?
4-fluoro-2-[6-(2-methylprop-1-enyl)oxan-2-yl]-4-(2-methylpropyl)piperidine has a molecular weight of 297.46 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[6-(2-methylprop-1-enyl)oxan-2-yl]-4-(2-methylpropyl)piperidine is sourced from PubChem (CID 146488690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).