fluoromethane;1-(6-methylcyclohepta-1,3,6-trien-1-yl)piperidine;propane

C17H30FN — CID 155780139

IUPACfluoromethane;1-(6-methylcyclohepta-1,3,6-trien-1-yl)piperidine;propane
SMILESCC1=CC(N2CCCCC2)=CC=CC1.CCC.CF
InChIInChI=1S/C13H19N.C3H8.CH3F/c1-12-7-3-4-8-13(11-12)14-9-5-2-6-10-14;1-3-2;1-2/h3-4,8,11H,2,5-7,9-10H2,1H3;3H2,1-2H3;1H3
InChIKeyVHIWHVWVIFSJJV-UHFFFAOYSA-N
MW267.43 g/mol
LogP5.26
Rot. Bonds1

About fluoromethane;1-(6-methylcyclohepta-1,3,6-trien-1-yl)piperidine;propane

fluoromethane;1-(6-methylcyclohepta-1,3,6-trien-1-yl)piperidine;propane (PubChem CID 155780139) has the molecular formula C17H30FN and a molecular weight of 267.43 g/mol. Its IUPAC name is fluoromethane;1-(6-methylcyclohepta-1,3,6-trien-1-yl)piperidine;propane.

Molecular Properties

Compound Namefluoromethane;1-(6-methylcyclohepta-1,3,6-trien-1-yl)piperidine;propane
PubChem CID155780139
Molecular FormulaC17H30FN
Molecular Weight267.43 g/mol
Exact Mass267.24
IUPAC Namefluoromethane;1-(6-methylcyclohepta-1,3,6-trien-1-yl)piperidine;propane
SMILESCC1=CC(N2CCCCC2)=CC=CC1.CCC.CF
InChIInChI=1S/C13H19N.C3H8.CH3F/c1-12-7-3-4-8-13(11-12)14-9-5-2-6-10-14;1-3-2;1-2/h3-4,8,11H,2,5-7,9-10H2,1H3;3H2,1-2H3;1H3
InChIKeyVHIWHVWVIFSJJV-UHFFFAOYSA-N
XLogP5.26
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.43
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

hafnium;bis(1-methylcyclopenta-1,3-diene)
CID 175907032
cobalt;1-methylcyclopenta-1,3-diene
CID 161089151
ethane;5-methyl-2-pyrrolidin-1-ylpyrimidine;propane
CID 170581673
1-methyl-6-pyrrolidin-1-yl-2H-pyridine
CID 56609190
acetaldehyde;ethane;1-methylcyclopenta-1,3-diene
CID 91150107
1-(3-methylphenyl)piperidine;propane
CID 143942273
tetrakis(cyclododecane);1-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene
CID 174520599
1,6-dimethylcycloocta-1,3,6-triene
CID 123605160
1-methylcycloocta-1,3,6-triene
CID 72521543
40,41-dimethyl-1,20-diazatricyclo[18.18.4.239,42]tetratetraconta-39,41,43-triene
CID 177473830
ethyl 2-fluoro-2-piperidin-1-ylacetate
CID 174307802
1-(5-ethylfuran-2-yl)piperidine
CID 137390727

Frequently Asked Questions

What is the IUPAC name of fluoromethane;1-(6-methylcyclohepta-1,3,6-trien-1-yl)piperidine;propane?
The IUPAC name of fluoromethane;1-(6-methylcyclohepta-1,3,6-trien-1-yl)piperidine;propane (CID 155780139) is fluoromethane;1-(6-methylcyclohepta-1,3,6-trien-1-yl)piperidine;propane.
What is the SMILES notation for fluoromethane;1-(6-methylcyclohepta-1,3,6-trien-1-yl)piperidine;propane?
The canonical SMILES for fluoromethane;1-(6-methylcyclohepta-1,3,6-trien-1-yl)piperidine;propane is CC1=CC(N2CCCCC2)=CC=CC1.CCC.CF.
What is the InChIKey of fluoromethane;1-(6-methylcyclohepta-1,3,6-trien-1-yl)piperidine;propane?
The InChIKey is VHIWHVWVIFSJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N.C3H8.CH3F/c1-12-7-3-4-8-13(11-12)14-9-5-2-6-10-14;1-3-2;1-2/h3-4,8,11H,2,5-7,9-10H2,1H3;3H2,1-2H3;1H3.
What are the key properties of fluoromethane;1-(6-methylcyclohepta-1,3,6-trien-1-yl)piperidine;propane?
fluoromethane;1-(6-methylcyclohepta-1,3,6-trien-1-yl)piperidine;propane has a molecular weight of 267.43 g/mol, XLogP of 5.26, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for fluoromethane;1-(6-methylcyclohepta-1,3,6-trien-1-yl)piperidine;propane is sourced from PubChem (CID 155780139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).