3-fluoro-1-(4-methoxycyclohexyl)-3-methylpiperidine

C13H24FNO — CID 167637218

IUPAC3-fluoro-1-(4-methoxycyclohexyl)-3-methylpiperidine
SMILESCOC1CCC(N2CCCC(C)(F)C2)CC1
InChIInChI=1S/C13H24FNO/c1-13(14)8-3-9-15(10-13)11-4-6-12(16-2)7-5-11/h11-12H,3-10H2,1-2H3
InChIKeyLABGOUVPCLNSGO-UHFFFAOYSA-N
MW229.34 g/mol
LogP2.77
Rot. Bonds2

About 3-fluoro-1-(4-methoxycyclohexyl)-3-methylpiperidine

3-fluoro-1-(4-methoxycyclohexyl)-3-methylpiperidine (PubChem CID 167637218) has the molecular formula C13H24FNO and a molecular weight of 229.34 g/mol. Its IUPAC name is 3-fluoro-1-(4-methoxycyclohexyl)-3-methylpiperidine.

Molecular Properties

Compound Name3-fluoro-1-(4-methoxycyclohexyl)-3-methylpiperidine
PubChem CID167637218
Molecular FormulaC13H24FNO
Molecular Weight229.34 g/mol
Exact Mass229.18
IUPAC Name3-fluoro-1-(4-methoxycyclohexyl)-3-methylpiperidine
SMILESCOC1CCC(N2CCCC(C)(F)C2)CC1
InChIInChI=1S/C13H24FNO/c1-13(14)8-3-9-15(10-13)11-4-6-12(16-2)7-5-11/h11-12H,3-10H2,1-2H3
InChIKeyLABGOUVPCLNSGO-UHFFFAOYSA-N
XLogP2.77
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.34
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-(4-methoxycyclohexyl)-3-methylpiperidine?
The IUPAC name of 3-fluoro-1-(4-methoxycyclohexyl)-3-methylpiperidine (CID 167637218) is 3-fluoro-1-(4-methoxycyclohexyl)-3-methylpiperidine.
What is the SMILES notation for 3-fluoro-1-(4-methoxycyclohexyl)-3-methylpiperidine?
The canonical SMILES for 3-fluoro-1-(4-methoxycyclohexyl)-3-methylpiperidine is COC1CCC(N2CCCC(C)(F)C2)CC1.
What is the InChIKey of 3-fluoro-1-(4-methoxycyclohexyl)-3-methylpiperidine?
The InChIKey is LABGOUVPCLNSGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24FNO/c1-13(14)8-3-9-15(10-13)11-4-6-12(16-2)7-5-11/h11-12H,3-10H2,1-2H3.
What are the key properties of 3-fluoro-1-(4-methoxycyclohexyl)-3-methylpiperidine?
3-fluoro-1-(4-methoxycyclohexyl)-3-methylpiperidine has a molecular weight of 229.34 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-(4-methoxycyclohexyl)-3-methylpiperidine is sourced from PubChem (CID 167637218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).