3-cycloheptyl-4-fluoro-4-methylpiperidine

C13H24FN — CID 84723549

IUPAC3-cycloheptyl-4-fluoro-4-methylpiperidine
SMILESCC1(F)CCNCC1C1CCCCCC1
InChIInChI=1S/C13H24FN/c1-13(14)8-9-15-10-12(13)11-6-4-2-3-5-7-11/h11-12,15H,2-10H2,1H3
InChIKeyASNXUTBPNMIYHE-UHFFFAOYSA-N
MW213.34 g/mol
LogP3.29
Rot. Bonds1

About 3-cycloheptyl-4-fluoro-4-methylpiperidine

3-cycloheptyl-4-fluoro-4-methylpiperidine (PubChem CID 84723549) has the molecular formula C13H24FN and a molecular weight of 213.34 g/mol. Its IUPAC name is 3-cycloheptyl-4-fluoro-4-methylpiperidine.

Molecular Properties

Compound Name3-cycloheptyl-4-fluoro-4-methylpiperidine
PubChem CID84723549
Molecular FormulaC13H24FN
Molecular Weight213.34 g/mol
Exact Mass213.19
IUPAC Name3-cycloheptyl-4-fluoro-4-methylpiperidine
SMILESCC1(F)CCNCC1C1CCCCCC1
InChIInChI=1S/C13H24FN/c1-13(14)8-9-15-10-12(13)11-6-4-2-3-5-7-11/h11-12,15H,2-10H2,1H3
InChIKeyASNXUTBPNMIYHE-UHFFFAOYSA-N
XLogP3.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.34
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-cyclohexyl-4-fluoro-4-methylpiperidine
CID 84721139
3-cyclobutyl-4-fluoro-4-methylpiperidine
CID 84717415
4-cyclopentyl-3-fluoro-3-methylpyrrolidine
CID 115013913
5-cyclopentyl-3-azaspiro[5.6]dodecane
CID 112570787
3-cyclopentyl-4-methyl-4-propan-2-ylpiperidine
CID 112570765
4-cyclopropyl-3-fluoro-3-methylpyrrolidine
CID 115011539
2-cyclohexyl-3-fluoro-3-methylpyrrolidine
CID 84718947
(3S,4S)-3,4-difluoro-4-methylpiperidine
CID 125117149
5-cyclopentyl-9-propan-2-yl-3-azaspiro[5.5]undecane
CID 112570873
9-tert-butyl-5-cyclopentyl-3-azaspiro[5.5]undecane
CID 115927129
11-cyclopentyl-3-oxa-9-azaspiro[5.5]undecane
CID 112570802
3-cyclopentyl-4-(2-methoxy-2-methylpropyl)-4-methylpiperidine
CID 112570898

Frequently Asked Questions

What is the IUPAC name of 3-cycloheptyl-4-fluoro-4-methylpiperidine?
The IUPAC name of 3-cycloheptyl-4-fluoro-4-methylpiperidine (CID 84723549) is 3-cycloheptyl-4-fluoro-4-methylpiperidine.
What is the SMILES notation for 3-cycloheptyl-4-fluoro-4-methylpiperidine?
The canonical SMILES for 3-cycloheptyl-4-fluoro-4-methylpiperidine is CC1(F)CCNCC1C1CCCCCC1.
What is the InChIKey of 3-cycloheptyl-4-fluoro-4-methylpiperidine?
The InChIKey is ASNXUTBPNMIYHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24FN/c1-13(14)8-9-15-10-12(13)11-6-4-2-3-5-7-11/h11-12,15H,2-10H2,1H3.
What are the key properties of 3-cycloheptyl-4-fluoro-4-methylpiperidine?
3-cycloheptyl-4-fluoro-4-methylpiperidine has a molecular weight of 213.34 g/mol, XLogP of 3.29, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cycloheptyl-4-fluoro-4-methylpiperidine is sourced from PubChem (CID 84723549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).