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

C12H18FN — CID 134365605

IUPAC4-(4-fluorocyclohexa-2,4-dien-1-yl)-1-methylpiperidine
SMILESCN1CCC(C2C=CC(F)=CC2)CC1
InChIInChI=1S/C12H18FN/c1-14-8-6-11(7-9-14)10-2-4-12(13)5-3-10/h2,4-5,10-11H,3,6-9H2,1H3
InChIKeySEVASDCBMYLFSL-UHFFFAOYSA-N
MW195.28 g/mol
LogP2.76
Rot. Bonds1

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

4-(4-fluorocyclohexa-2,4-dien-1-yl)-1-methylpiperidine (PubChem CID 134365605) has the molecular formula C12H18FN and a molecular weight of 195.28 g/mol. Its IUPAC name is 4-(4-fluorocyclohexa-2,4-dien-1-yl)-1-methylpiperidine.

Molecular Properties

Compound Name4-(4-fluorocyclohexa-2,4-dien-1-yl)-1-methylpiperidine
PubChem CID134365605
Molecular FormulaC12H18FN
Molecular Weight195.28 g/mol
Exact Mass195.14
IUPAC Name4-(4-fluorocyclohexa-2,4-dien-1-yl)-1-methylpiperidine
SMILESCN1CCC(C2C=CC(F)=CC2)CC1
InChIInChI=1S/C12H18FN/c1-14-8-6-11(7-9-14)10-2-4-12(13)5-3-10/h2,4-5,10-11H,3,6-9H2,1H3
InChIKeySEVASDCBMYLFSL-UHFFFAOYSA-N
XLogP2.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.28
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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N-(3-ethylheptyl)-1-fluoro-N-methylcyclohexa-2,4-dien-1-amine
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3-(4-fluorocyclohexa-2,4-dien-1-yl)-N,N-dimethylpropan-1-amine
CID 53831859
1-[(2,6-Difluorocyclohexa-2,4-dien-1-yl)methyl]piperidine
CID 66807098
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
2-methyl-6-(trifluoromethyl)-3,4,4a,8a-tetrahydro-1H-isoquinoline
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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorocyclohexa-2,4-dien-1-yl)-1-methylpiperidine?
The IUPAC name of 4-(4-fluorocyclohexa-2,4-dien-1-yl)-1-methylpiperidine (CID 134365605) is 4-(4-fluorocyclohexa-2,4-dien-1-yl)-1-methylpiperidine.
What is the SMILES notation for 4-(4-fluorocyclohexa-2,4-dien-1-yl)-1-methylpiperidine?
The canonical SMILES for 4-(4-fluorocyclohexa-2,4-dien-1-yl)-1-methylpiperidine is CN1CCC(C2C=CC(F)=CC2)CC1.
What is the InChIKey of 4-(4-fluorocyclohexa-2,4-dien-1-yl)-1-methylpiperidine?
The InChIKey is SEVASDCBMYLFSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN/c1-14-8-6-11(7-9-14)10-2-4-12(13)5-3-10/h2,4-5,10-11H,3,6-9H2,1H3.
What are the key properties of 4-(4-fluorocyclohexa-2,4-dien-1-yl)-1-methylpiperidine?
4-(4-fluorocyclohexa-2,4-dien-1-yl)-1-methylpiperidine has a molecular weight of 195.28 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorocyclohexa-2,4-dien-1-yl)-1-methylpiperidine is sourced from PubChem (CID 134365605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).