4-(4,7-difluorocyclohepta-1,3,6-trien-1-yl)piperidine

C12H15F2N — CID 143407746

IUPAC4-(4,7-difluorocyclohepta-1,3,6-trien-1-yl)piperidine
SMILESFC1=CC=C(C2CCNCC2)C(F)=CC1
InChIInChI=1S/C12H15F2N/c13-10-1-3-11(12(14)4-2-10)9-5-7-15-8-6-9/h1,3-4,9,15H,2,5-8H2
InChIKeyLCIHYYAUTAEMSO-UHFFFAOYSA-N
MW211.25 g/mol
LogP3.02
Rot. Bonds1

About 4-(4,7-difluorocyclohepta-1,3,6-trien-1-yl)piperidine

4-(4,7-difluorocyclohepta-1,3,6-trien-1-yl)piperidine (PubChem CID 143407746) has the molecular formula C12H15F2N and a molecular weight of 211.25 g/mol. Its IUPAC name is 4-(4,7-difluorocyclohepta-1,3,6-trien-1-yl)piperidine.

Molecular Properties

Compound Name4-(4,7-difluorocyclohepta-1,3,6-trien-1-yl)piperidine
PubChem CID143407746
Molecular FormulaC12H15F2N
Molecular Weight211.25 g/mol
Exact Mass211.12
IUPAC Name4-(4,7-difluorocyclohepta-1,3,6-trien-1-yl)piperidine
SMILESFC1=CC=C(C2CCNCC2)C(F)=CC1
InChIInChI=1S/C12H15F2N/c13-10-1-3-11(12(14)4-2-10)9-5-7-15-8-6-9/h1,3-4,9,15H,2,5-8H2
InChIKeyLCIHYYAUTAEMSO-UHFFFAOYSA-N
XLogP3.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.25
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 54394851
4-[4-(Trifluoromethyl)cyclohexa-1,5-dien-1-yl]piperidine
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CID 69530943
5,6-Difluoro-11-azabicyclo[7.3.1]trideca-2,4,6-triene
CID 69826954
3-[3-(Trifluoromethyl)cyclohepta-1,4,6-trien-1-yl]pyrrolidine
CID 70944553
4-[(3E)-3-fluorohexa-1,3,5-trien-2-yl]piperidine
CID 89162763
4-[(E)-1-fluorohex-3-en-3-yl]piperidine
CID 89168225
4-(4-Fluorocyclohexa-1,5-dien-1-yl)piperidine
CID 89358489
4-(4-Fluorocyclohexa-1,3-dien-1-yl)piperidine
CID 89358844
N-[(4-fluoro-2-methylcyclohexa-2,4-dien-1-yl)methyl]-2-methylpropan-1-amine
CID 90831730
CID 123493769
CID 123493769
4-[(Z)-2-fluoroprop-1-enyl]piperidine
CID 131972842

Frequently Asked Questions

What is the IUPAC name of 4-(4,7-difluorocyclohepta-1,3,6-trien-1-yl)piperidine?
The IUPAC name of 4-(4,7-difluorocyclohepta-1,3,6-trien-1-yl)piperidine (CID 143407746) is 4-(4,7-difluorocyclohepta-1,3,6-trien-1-yl)piperidine.
What is the SMILES notation for 4-(4,7-difluorocyclohepta-1,3,6-trien-1-yl)piperidine?
The canonical SMILES for 4-(4,7-difluorocyclohepta-1,3,6-trien-1-yl)piperidine is FC1=CC=C(C2CCNCC2)C(F)=CC1.
What is the InChIKey of 4-(4,7-difluorocyclohepta-1,3,6-trien-1-yl)piperidine?
The InChIKey is LCIHYYAUTAEMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N/c13-10-1-3-11(12(14)4-2-10)9-5-7-15-8-6-9/h1,3-4,9,15H,2,5-8H2.
What are the key properties of 4-(4,7-difluorocyclohepta-1,3,6-trien-1-yl)piperidine?
4-(4,7-difluorocyclohepta-1,3,6-trien-1-yl)piperidine has a molecular weight of 211.25 g/mol, XLogP of 3.02, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,7-difluorocyclohepta-1,3,6-trien-1-yl)piperidine is sourced from PubChem (CID 143407746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).