2-cycloheptyl-3-fluoro-3-methylpiperidine

C13H24FN — CID 84723550

IUPAC2-cycloheptyl-3-fluoro-3-methylpiperidine
SMILESCC1(F)CCCNC1C1CCCCCC1
InChIInChI=1S/C13H24FN/c1-13(14)9-6-10-15-12(13)11-7-4-2-3-5-8-11/h11-12,15H,2-10H2,1H3
InChIKeyJYWALYBWTAWVMM-UHFFFAOYSA-N
MW213.34 g/mol
LogP3.44
Rot. Bonds1

About 2-cycloheptyl-3-fluoro-3-methylpiperidine

2-cycloheptyl-3-fluoro-3-methylpiperidine (PubChem CID 84723550) has the molecular formula C13H24FN and a molecular weight of 213.34 g/mol. Its IUPAC name is 2-cycloheptyl-3-fluoro-3-methylpiperidine.

Molecular Properties

Compound Name2-cycloheptyl-3-fluoro-3-methylpiperidine
PubChem CID84723550
Molecular FormulaC13H24FN
Molecular Weight213.34 g/mol
Exact Mass213.19
IUPAC Name2-cycloheptyl-3-fluoro-3-methylpiperidine
SMILESCC1(F)CCCNC1C1CCCCCC1
InChIInChI=1S/C13H24FN/c1-13(14)9-6-10-15-12(13)11-7-4-2-3-5-8-11/h11-12,15H,2-10H2,1H3
InChIKeyJYWALYBWTAWVMM-UHFFFAOYSA-N
XLogP3.44
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 ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-cyclohexyl-3-fluoro-3-methylpyrrolidine
CID 84718947
2-(2-fluoro-2-methylcyclopentyl)piperidine
CID 131137648
3-cyclohexyl-4-fluoro-4-methylpiperidine
CID 84721139
3-cycloheptyl-4-fluoro-4-methylpiperidine
CID 84723549
2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridine;ethane
CID 142196659
(3aS,6S,6aR)-6-methyl-2,3,3a,4,5,6a-hexahydro-1H-cyclopenta[b]pyrrol-6-ol
CID 170098111
(4aS,8aS)-4a-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-quinoline
CID 71362985
3-cyclobutyl-4-fluoro-4-methylpiperidine
CID 84717415
7,7-dimethyl-1,2,3,4,4a,5,6,8,9,9a-decahydrocyclohepta[b]pyridine
CID 143671086
2-(3-cyclopentyl-2,2-difluorocyclopropyl)pyrrolidine
CID 126845474
1-fluoro-2-iodo-1-methylcyclohexane
CID 14950746
cis-(1R,2R)-2-bromo-1-fluoro-1-methylcyclohexane
CID 14433718

Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyl-3-fluoro-3-methylpiperidine?
The IUPAC name of 2-cycloheptyl-3-fluoro-3-methylpiperidine (CID 84723550) is 2-cycloheptyl-3-fluoro-3-methylpiperidine.
What is the SMILES notation for 2-cycloheptyl-3-fluoro-3-methylpiperidine?
The canonical SMILES for 2-cycloheptyl-3-fluoro-3-methylpiperidine is CC1(F)CCCNC1C1CCCCCC1.
What is the InChIKey of 2-cycloheptyl-3-fluoro-3-methylpiperidine?
The InChIKey is JYWALYBWTAWVMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24FN/c1-13(14)9-6-10-15-12(13)11-7-4-2-3-5-8-11/h11-12,15H,2-10H2,1H3.
What are the key properties of 2-cycloheptyl-3-fluoro-3-methylpiperidine?
2-cycloheptyl-3-fluoro-3-methylpiperidine has a molecular weight of 213.34 g/mol, XLogP of 3.44, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyl-3-fluoro-3-methylpiperidine is sourced from PubChem (CID 84723550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).