4-(2-fluorocyclohepta-1,4,6-trien-1-yl)-1,4-dimethylpiperidine

C14H20FN — CID 130238797

IUPAC4-(2-fluorocyclohepta-1,4,6-trien-1-yl)-1,4-dimethylpiperidine
SMILESCN1CCC(C)(C2=C(F)CC=CC=C2)CC1
InChIInChI=1S/C14H20FN/c1-14(8-10-16(2)11-9-14)12-6-4-3-5-7-13(12)15/h3-6H,7-11H2,1-2H3
InChIKeySNWRMIXHNHZHRJ-UHFFFAOYSA-N
MW221.32 g/mol
LogP3.46
Rot. Bonds1

About 4-(2-fluorocyclohepta-1,4,6-trien-1-yl)-1,4-dimethylpiperidine

4-(2-fluorocyclohepta-1,4,6-trien-1-yl)-1,4-dimethylpiperidine (PubChem CID 130238797) has the molecular formula C14H20FN and a molecular weight of 221.32 g/mol. Its IUPAC name is 4-(2-fluorocyclohepta-1,4,6-trien-1-yl)-1,4-dimethylpiperidine.

Molecular Properties

Compound Name4-(2-fluorocyclohepta-1,4,6-trien-1-yl)-1,4-dimethylpiperidine
PubChem CID130238797
Molecular FormulaC14H20FN
Molecular Weight221.32 g/mol
Exact Mass221.16
IUPAC Name4-(2-fluorocyclohepta-1,4,6-trien-1-yl)-1,4-dimethylpiperidine
SMILESCN1CCC(C)(C2=C(F)CC=CC=C2)CC1
InChIInChI=1S/C14H20FN/c1-14(8-10-16(2)11-9-14)12-6-4-3-5-7-13(12)15/h3-6H,7-11H2,1-2H3
InChIKeySNWRMIXHNHZHRJ-UHFFFAOYSA-N
XLogP3.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-(1-Fluorocyclohexa-2,4-dien-1-yl)ethyl]-4-methylidenepiperidine
CID 69593663
1-[2-(4-Fluorocyclohexa-1,5-dien-1-yl)ethyl]-4-methylpiperidine
CID 70819928
1-[(2E,3Z)-2-(2-fluoroethylidene)hexa-3,5-dienyl]-4-methylpiperidine
CID 89297752
4-[(2E,4E)-5-fluorohexa-2,4-dien-2-yl]-1-methylpiperidine
CID 121306892
1-(8-Fluoro-4,5-dimethylnona-5,7-dienyl)piperidine
CID 123361404
1-[(2-Fluorocyclohepta-1,3-dien-1-yl)methyl]piperidine
CID 123396512
1-ethyl-4-[(3E,5Z)-7-fluorohepta-1,3,5-trien-4-yl]piperidine-4-carbonitrile
CID 124143144
4-[1-(4-Fluoro-1-methylcyclohexa-2,4-dien-1-yl)ethenyl]-1-methylpiperidine
CID 129131717
4-fluoro-1-methyl-4-[(2E,5Z)-6-methylnona-2,5-dien-2-yl]piperidine
CID 130216521
1-[(4E,6Z,8E)-9-fluoro-4-methylnona-4,6,8-trienyl]piperidine
CID 130243379
3-fluoro-1-methyl-3-[(1E)-penta-1,3,4-trienyl]piperidine
CID 132004053
(3R)-3-[(2Z,4E)-4-fluoro-3-methylhepta-2,4,6-trienyl]-1-methylpiperidine
CID 134292242

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorocyclohepta-1,4,6-trien-1-yl)-1,4-dimethylpiperidine?
The IUPAC name of 4-(2-fluorocyclohepta-1,4,6-trien-1-yl)-1,4-dimethylpiperidine (CID 130238797) is 4-(2-fluorocyclohepta-1,4,6-trien-1-yl)-1,4-dimethylpiperidine.
What is the SMILES notation for 4-(2-fluorocyclohepta-1,4,6-trien-1-yl)-1,4-dimethylpiperidine?
The canonical SMILES for 4-(2-fluorocyclohepta-1,4,6-trien-1-yl)-1,4-dimethylpiperidine is CN1CCC(C)(C2=C(F)CC=CC=C2)CC1.
What is the InChIKey of 4-(2-fluorocyclohepta-1,4,6-trien-1-yl)-1,4-dimethylpiperidine?
The InChIKey is SNWRMIXHNHZHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN/c1-14(8-10-16(2)11-9-14)12-6-4-3-5-7-13(12)15/h3-6H,7-11H2,1-2H3.
What are the key properties of 4-(2-fluorocyclohepta-1,4,6-trien-1-yl)-1,4-dimethylpiperidine?
4-(2-fluorocyclohepta-1,4,6-trien-1-yl)-1,4-dimethylpiperidine has a molecular weight of 221.32 g/mol, XLogP of 3.46, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorocyclohepta-1,4,6-trien-1-yl)-1,4-dimethylpiperidine is sourced from PubChem (CID 130238797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).