4-(2-fluoro-6-methylcyclohexa-1,3-dien-1-yl)piperidine

C12H18FN — CID 143792374

IUPAC4-(2-fluoro-6-methylcyclohexa-1,3-dien-1-yl)piperidine
SMILESCC1CC=CC(F)=C1C1CCNCC1
InChIInChI=1S/C12H18FN/c1-9-3-2-4-11(13)12(9)10-5-7-14-8-6-10/h2,4,9-10,14H,3,5-8H2,1H3
InChIKeyNBDXDZYEOSILBH-UHFFFAOYSA-N
MW195.28 g/mol
LogP2.81
Rot. Bonds1

About 4-(2-fluoro-6-methylcyclohexa-1,3-dien-1-yl)piperidine

4-(2-fluoro-6-methylcyclohexa-1,3-dien-1-yl)piperidine (PubChem CID 143792374) has the molecular formula C12H18FN and a molecular weight of 195.28 g/mol. Its IUPAC name is 4-(2-fluoro-6-methylcyclohexa-1,3-dien-1-yl)piperidine.

Molecular Properties

Compound Name4-(2-fluoro-6-methylcyclohexa-1,3-dien-1-yl)piperidine
PubChem CID143792374
Molecular FormulaC12H18FN
Molecular Weight195.28 g/mol
Exact Mass195.14
IUPAC Name4-(2-fluoro-6-methylcyclohexa-1,3-dien-1-yl)piperidine
SMILESCC1CC=CC(F)=C1C1CCNCC1
InChIInChI=1S/C12H18FN/c1-9-3-2-4-11(13)12(9)10-5-7-14-8-6-10/h2,4,9-10,14H,3,5-8H2,1H3
InChIKeyNBDXDZYEOSILBH-UHFFFAOYSA-N
XLogP2.81
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 ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,2,3,4,10a,10b-Hexahydrobenzo[f]isoquinoline
CID 53797068
Octahydrobenz[h]isoquinoline
CID 56633701
Octahydro-benz[g]isochinoline
CID 129648171
(2R)-2-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperidine
CID 68112155
4-[4-(Trifluoromethyl)cyclohexa-1,5-dien-1-yl]piperidine
CID 68363150
5-(Fluoromethyl)-6-piperidin-4-yl-1,2-dihydropyridine
CID 69107959
6-(Trifluoromethyl)-11-azabicyclo[7.3.1]trideca-2,4,6-triene
CID 69530943
5,6-Difluoro-11-azabicyclo[7.3.1]trideca-2,4,6-triene
CID 69826954
(2R)-4-methyl-2-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperidine
CID 70327342
N-[1-[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]ethyl]propan-1-amine
CID 70842357
(2R,3R)-3-ethyl-2-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperidine
CID 70903487
(3S,5R)-5-[(1R,5R)-5-fluorocyclohex-2-en-1-yl]-2-methyl-3-[(Z)-prop-1-enyl]piperidine
CID 71165840

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-6-methylcyclohexa-1,3-dien-1-yl)piperidine?
The IUPAC name of 4-(2-fluoro-6-methylcyclohexa-1,3-dien-1-yl)piperidine (CID 143792374) is 4-(2-fluoro-6-methylcyclohexa-1,3-dien-1-yl)piperidine.
What is the SMILES notation for 4-(2-fluoro-6-methylcyclohexa-1,3-dien-1-yl)piperidine?
The canonical SMILES for 4-(2-fluoro-6-methylcyclohexa-1,3-dien-1-yl)piperidine is CC1CC=CC(F)=C1C1CCNCC1.
What is the InChIKey of 4-(2-fluoro-6-methylcyclohexa-1,3-dien-1-yl)piperidine?
The InChIKey is NBDXDZYEOSILBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN/c1-9-3-2-4-11(13)12(9)10-5-7-14-8-6-10/h2,4,9-10,14H,3,5-8H2,1H3.
What are the key properties of 4-(2-fluoro-6-methylcyclohexa-1,3-dien-1-yl)piperidine?
4-(2-fluoro-6-methylcyclohexa-1,3-dien-1-yl)piperidine has a molecular weight of 195.28 g/mol, XLogP of 2.81, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-6-methylcyclohexa-1,3-dien-1-yl)piperidine is sourced from PubChem (CID 143792374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).