1-[(2-fluoro-6-methoxycyclohexa-1,5-dien-1-yl)methyl]piperidine

C13H20FNO — CID 123168712

IUPAC1-[(2-fluoro-6-methoxycyclohexa-1,5-dien-1-yl)methyl]piperidine
SMILESCOC1=CCCC(F)=C1CN1CCCCC1
InChIInChI=1S/C13H20FNO/c1-16-13-7-5-6-12(14)11(13)10-15-8-3-2-4-9-15/h7H,2-6,8-10H2,1H3
InChIKeyIUKSCIRCHNRUCY-UHFFFAOYSA-N
MW225.31 g/mol
LogP3.02
Rot. Bonds3

About 1-[(2-fluoro-6-methoxycyclohexa-1,5-dien-1-yl)methyl]piperidine

1-[(2-fluoro-6-methoxycyclohexa-1,5-dien-1-yl)methyl]piperidine (PubChem CID 123168712) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is 1-[(2-fluoro-6-methoxycyclohexa-1,5-dien-1-yl)methyl]piperidine.

Molecular Properties

Compound Name1-[(2-fluoro-6-methoxycyclohexa-1,5-dien-1-yl)methyl]piperidine
PubChem CID123168712
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC Name1-[(2-fluoro-6-methoxycyclohexa-1,5-dien-1-yl)methyl]piperidine
SMILESCOC1=CCCC(F)=C1CN1CCCCC1
InChIInChI=1S/C13H20FNO/c1-16-13-7-5-6-12(14)11(13)10-15-8-3-2-4-9-15/h7H,2-6,8-10H2,1H3
InChIKeyIUKSCIRCHNRUCY-UHFFFAOYSA-N
XLogP3.02
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(6-Fluorocyclohexa-1,5-dien-1-yl)oxy-1-methylpiperidine
CID 144191902
1-[(2E)-2-(1-fluoroethenyl)-3-methoxypenta-2,4-dienyl]piperidine
CID 144301948
(E,2E)-N-butyl-2-(1-fluoroethylidene)-3-methoxy-N-methylpent-3-en-1-amine
CID 144302130
(3R)-1-[(2-fluoro-6-methoxycyclohexa-1,5-dien-1-yl)methyl]-3-methylpiperidine
CID 144302531
1-[(2E)-3-fluoro-2-(1-methoxyethenyl)penta-2,4-dienyl]-3-methylpiperidine
CID 145569583
Ethane;1-methyl-4-[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]oxypiperidine
CID 168168416
1-[3-(6-Fluorocyclohexa-1,5-dien-1-yl)oxypropyl]piperidine
CID 173134828
1-[3-(5-Fluorocyclohexa-1,5-dien-1-yl)oxypropyl]piperidine
CID 173184242
1-Ethyl-4-(5-fluoro-7-methylcyclohepta-1,4,6-trien-1-yl)oxypiperidine
CID 143502855
1-[(3E,5Z)-3-fluoro-7-methoxy-2-methylocta-3,5,7-trienyl]piperidine
CID 144302450
1-[(E,2E)-3-fluoro-2-(1-methoxyethylidene)hex-3-enyl]piperidine
CID 144372382
1-Methyl-4-[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]oxypiperidine
CID 168168417

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluoro-6-methoxycyclohexa-1,5-dien-1-yl)methyl]piperidine?
The IUPAC name of 1-[(2-fluoro-6-methoxycyclohexa-1,5-dien-1-yl)methyl]piperidine (CID 123168712) is 1-[(2-fluoro-6-methoxycyclohexa-1,5-dien-1-yl)methyl]piperidine.
What is the SMILES notation for 1-[(2-fluoro-6-methoxycyclohexa-1,5-dien-1-yl)methyl]piperidine?
The canonical SMILES for 1-[(2-fluoro-6-methoxycyclohexa-1,5-dien-1-yl)methyl]piperidine is COC1=CCCC(F)=C1CN1CCCCC1.
What is the InChIKey of 1-[(2-fluoro-6-methoxycyclohexa-1,5-dien-1-yl)methyl]piperidine?
The InChIKey is IUKSCIRCHNRUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO/c1-16-13-7-5-6-12(14)11(13)10-15-8-3-2-4-9-15/h7H,2-6,8-10H2,1H3.
What are the key properties of 1-[(2-fluoro-6-methoxycyclohexa-1,5-dien-1-yl)methyl]piperidine?
1-[(2-fluoro-6-methoxycyclohexa-1,5-dien-1-yl)methyl]piperidine has a molecular weight of 225.31 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluoro-6-methoxycyclohexa-1,5-dien-1-yl)methyl]piperidine is sourced from PubChem (CID 123168712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).