4-(4-fluorocyclohexa-2,4-dien-1-yl)oxy-1-methylpiperidine

C12H18FNO — CID 143392129

IUPAC4-(4-fluorocyclohexa-2,4-dien-1-yl)oxy-1-methylpiperidine
SMILESCN1CCC(OC2C=CC(F)=CC2)CC1
InChIInChI=1S/C12H18FNO/c1-14-8-6-12(7-9-14)15-11-4-2-10(13)3-5-11/h2-4,11-12H,5-9H2,1H3
InChIKeyRNENOJLSGWJXJI-UHFFFAOYSA-N
MW211.28 g/mol
LogP2.28
Rot. Bonds2

About 4-(4-fluorocyclohexa-2,4-dien-1-yl)oxy-1-methylpiperidine

4-(4-fluorocyclohexa-2,4-dien-1-yl)oxy-1-methylpiperidine (PubChem CID 143392129) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is 4-(4-fluorocyclohexa-2,4-dien-1-yl)oxy-1-methylpiperidine.

Molecular Properties

Compound Name4-(4-fluorocyclohexa-2,4-dien-1-yl)oxy-1-methylpiperidine
PubChem CID143392129
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC Name4-(4-fluorocyclohexa-2,4-dien-1-yl)oxy-1-methylpiperidine
SMILESCN1CCC(OC2C=CC(F)=CC2)CC1
InChIInChI=1S/C12H18FNO/c1-14-8-6-12(7-9-14)15-11-4-2-10(13)3-5-11/h2-4,11-12H,5-9H2,1H3
InChIKeyRNENOJLSGWJXJI-UHFFFAOYSA-N
XLogP2.28
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-Fluorocyclohexa-2,4-dien-1-yl)oxypiperidine
CID 89672767
1-methyl-4-[(3Z)-5-(trifluoromethoxymethyl)hexa-1,3,5-trien-2-yl]oxypiperidine
CID 142009799
1-Butyl-4-(4-fluorocyclohexa-1,3-dien-1-yl)oxypiperidine
CID 143503258
4-(6-Fluorocyclohexa-1,5-dien-1-yl)oxy-1-methylpiperidine
CID 144191902
4-[(6-Fluorocyclohexa-1,5-dien-1-yl)methoxy]-1,4-dimethylpiperidine
CID 144279161
(3R)-1-[(2-fluoro-6-methoxycyclohexa-1,3-dien-1-yl)methyl]-3-methylpiperidine
CID 144301846
1-[(2-Fluoro-6-methoxycyclohexa-2,4-dien-1-yl)methyl]piperidine
CID 144301902
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-Butyl-4-(5-fluorocyclohepta-1,4,6-trien-1-yl)oxypiperidine
CID 143502498
1-Ethyl-4-(5-fluoro-7-methylcyclohepta-1,4,6-trien-1-yl)oxypiperidine
CID 143502855

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorocyclohexa-2,4-dien-1-yl)oxy-1-methylpiperidine?
The IUPAC name of 4-(4-fluorocyclohexa-2,4-dien-1-yl)oxy-1-methylpiperidine (CID 143392129) is 4-(4-fluorocyclohexa-2,4-dien-1-yl)oxy-1-methylpiperidine.
What is the SMILES notation for 4-(4-fluorocyclohexa-2,4-dien-1-yl)oxy-1-methylpiperidine?
The canonical SMILES for 4-(4-fluorocyclohexa-2,4-dien-1-yl)oxy-1-methylpiperidine is CN1CCC(OC2C=CC(F)=CC2)CC1.
What is the InChIKey of 4-(4-fluorocyclohexa-2,4-dien-1-yl)oxy-1-methylpiperidine?
The InChIKey is RNENOJLSGWJXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO/c1-14-8-6-12(7-9-14)15-11-4-2-10(13)3-5-11/h2-4,11-12H,5-9H2,1H3.
What are the key properties of 4-(4-fluorocyclohexa-2,4-dien-1-yl)oxy-1-methylpiperidine?
4-(4-fluorocyclohexa-2,4-dien-1-yl)oxy-1-methylpiperidine has a molecular weight of 211.28 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorocyclohexa-2,4-dien-1-yl)oxy-1-methylpiperidine is sourced from PubChem (CID 143392129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).