2-(3-fluorocyclohexa-2,4-dien-1-yl)-5-methylpiperidine

C12H18FN — CID 166963414

IUPAC2-(3-fluorocyclohexa-2,4-dien-1-yl)-5-methylpiperidine
SMILESCC1CCC(C2C=C(F)C=CC2)NC1
InChIInChI=1S/C12H18FN/c1-9-5-6-12(14-8-9)10-3-2-4-11(13)7-10/h2,4,7,9-10,12,14H,3,5-6,8H2,1H3
InChIKeyCLJFQDMLXCFITG-UHFFFAOYSA-N
MW195.28 g/mol
LogP2.80
Rot. Bonds1

About 2-(3-fluorocyclohexa-2,4-dien-1-yl)-5-methylpiperidine

2-(3-fluorocyclohexa-2,4-dien-1-yl)-5-methylpiperidine (PubChem CID 166963414) has the molecular formula C12H18FN and a molecular weight of 195.28 g/mol. Its IUPAC name is 2-(3-fluorocyclohexa-2,4-dien-1-yl)-5-methylpiperidine.

Molecular Properties

Compound Name2-(3-fluorocyclohexa-2,4-dien-1-yl)-5-methylpiperidine
PubChem CID166963414
Molecular FormulaC12H18FN
Molecular Weight195.28 g/mol
Exact Mass195.14
IUPAC Name2-(3-fluorocyclohexa-2,4-dien-1-yl)-5-methylpiperidine
SMILESCC1CCC(C2C=C(F)C=CC2)NC1
InChIInChI=1S/C12H18FN/c1-9-5-6-12(14-8-9)10-3-2-4-11(13)7-10/h2,4,7,9-10,12,14H,3,5-6,8H2,1H3
InChIKeyCLJFQDMLXCFITG-UHFFFAOYSA-N
XLogP2.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.28
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Octahydrobenzo(f)quinoline
CID 67192496
Octahydrobenz[h]isoquinoline
CID 56633701
Octahydrobenzoquinoline
CID 67195051
trans-Octahydrobenzo(f)quinoline
CID 129670051
(2R)-2-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperidine
CID 68112155
2-[2-(Fluoromethyl)piperidin-4-yl]-1,2-dihydropyridine
CID 69107961
N-[(4-fluorocyclohexa-2,4-dien-1-yl)methyl]-1-methylpiperidin-4-amine
CID 70311004
(2R)-4-methyl-2-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperidine
CID 70327342
3-[(E)-2-(6-fluorocyclohexa-1,3-dien-1-yl)ethenyl]-8-azabicyclo[3.2.1]octane
CID 70842087
N-[1-[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]ethyl]propan-1-amine
CID 70842357
(2R)-2-[(5-fluoro-4-methylcyclohexa-2,4-dien-1-yl)methyl]-4-methylpyrrolidine
CID 70867666
(2R,3R)-3-ethyl-2-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperidine
CID 70903487

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorocyclohexa-2,4-dien-1-yl)-5-methylpiperidine?
The IUPAC name of 2-(3-fluorocyclohexa-2,4-dien-1-yl)-5-methylpiperidine (CID 166963414) is 2-(3-fluorocyclohexa-2,4-dien-1-yl)-5-methylpiperidine.
What is the SMILES notation for 2-(3-fluorocyclohexa-2,4-dien-1-yl)-5-methylpiperidine?
The canonical SMILES for 2-(3-fluorocyclohexa-2,4-dien-1-yl)-5-methylpiperidine is CC1CCC(C2C=C(F)C=CC2)NC1.
What is the InChIKey of 2-(3-fluorocyclohexa-2,4-dien-1-yl)-5-methylpiperidine?
The InChIKey is CLJFQDMLXCFITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN/c1-9-5-6-12(14-8-9)10-3-2-4-11(13)7-10/h2,4,7,9-10,12,14H,3,5-6,8H2,1H3.
What are the key properties of 2-(3-fluorocyclohexa-2,4-dien-1-yl)-5-methylpiperidine?
2-(3-fluorocyclohexa-2,4-dien-1-yl)-5-methylpiperidine has a molecular weight of 195.28 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorocyclohexa-2,4-dien-1-yl)-5-methylpiperidine is sourced from PubChem (CID 166963414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).