1-(2-fluoroethyl)-4-(5-methyl-2-bicyclo[4.1.0]hepta-2,4-dienyl)piperidine

C15H22FN — CID 142308852

IUPAC1-(2-fluoroethyl)-4-(5-methyl-2-bicyclo[4.1.0]hepta-2,4-dienyl)piperidine
SMILESCC1=CC=C(C2CCN(CCF)CC2)C2CC12
InChIInChI=1S/C15H22FN/c1-11-2-3-13(15-10-14(11)15)12-4-7-17(8-5-12)9-6-16/h2-3,12,14-15H,4-10H2,1H3
InChIKeyRXVTXCZGHQLUMU-UHFFFAOYSA-N
MW235.35 g/mol
LogP3.19
Rot. Bonds3

About 1-(2-fluoroethyl)-4-(5-methyl-2-bicyclo[4.1.0]hepta-2,4-dienyl)piperidine

1-(2-fluoroethyl)-4-(5-methyl-2-bicyclo[4.1.0]hepta-2,4-dienyl)piperidine (PubChem CID 142308852) has the molecular formula C15H22FN and a molecular weight of 235.35 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-4-(5-methyl-2-bicyclo[4.1.0]hepta-2,4-dienyl)piperidine.

Molecular Properties

Compound Name1-(2-fluoroethyl)-4-(5-methyl-2-bicyclo[4.1.0]hepta-2,4-dienyl)piperidine
PubChem CID142308852
Molecular FormulaC15H22FN
Molecular Weight235.35 g/mol
Exact Mass235.17
IUPAC Name1-(2-fluoroethyl)-4-(5-methyl-2-bicyclo[4.1.0]hepta-2,4-dienyl)piperidine
SMILESCC1=CC=C(C2CCN(CCF)CC2)C2CC12
InChIInChI=1S/C15H22FN/c1-11-2-3-13(15-10-14(11)15)12-4-7-17(8-5-12)9-6-16/h2-3,12,14-15H,4-10H2,1H3
InChIKeyRXVTXCZGHQLUMU-UHFFFAOYSA-N
XLogP3.19
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-Ethyl-4-[4-fluoro-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]piperidine
CID 70954594
2-ethyl-6-fluoro-3,4,8,8a-tetrahydro-1H-isoquinoline
CID 89514110
4-(4-Fluorocyclohexa-1,3-dien-1-yl)-1-methylpiperidine
CID 118422995
1-(8-Fluoro-4,5-dimethylnona-5,7-dienyl)piperidine
CID 123361404
3-[(2,6-Difluoro-6-methylcyclohexa-2,4-dien-1-yl)methyl]-1-methylpiperidine
CID 123685991
4-[1-(4-Fluoro-1-methylcyclohexa-2,4-dien-1-yl)ethenyl]-1-methylpiperidine
CID 129131717
4-(5-Fluorocyclohexen-1-yl)-1-iodopiperidine
CID 130370625
(9Z)-9-[(E)-2-fluoropent-2-enylidene]-3-methyl-10-methylidene-3-azaspiro[5.5]undecane
CID 130371386
(3R)-3-[(2Z,4E)-4-fluoro-3-methylhepta-2,4,6-trienyl]-1-methylpiperidine
CID 134292242
4-[(3E,5E)-6-fluorohepta-3,5-dien-3-yl]-1-methylpiperidine
CID 134365607
4-(4-Fluorocyclohepta-1,3,5-trien-1-yl)-1-methylpiperidine
CID 134365673
3-(cyclohexa-2,4-dien-1-ylmethyl)-1-[(2Z,4E)-5-fluorohepta-2,4,6-trienyl]-5-methylpiperidine
CID 138507744

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-4-(5-methyl-2-bicyclo[4.1.0]hepta-2,4-dienyl)piperidine?
The IUPAC name of 1-(2-fluoroethyl)-4-(5-methyl-2-bicyclo[4.1.0]hepta-2,4-dienyl)piperidine (CID 142308852) is 1-(2-fluoroethyl)-4-(5-methyl-2-bicyclo[4.1.0]hepta-2,4-dienyl)piperidine.
What is the SMILES notation for 1-(2-fluoroethyl)-4-(5-methyl-2-bicyclo[4.1.0]hepta-2,4-dienyl)piperidine?
The canonical SMILES for 1-(2-fluoroethyl)-4-(5-methyl-2-bicyclo[4.1.0]hepta-2,4-dienyl)piperidine is CC1=CC=C(C2CCN(CCF)CC2)C2CC12.
What is the InChIKey of 1-(2-fluoroethyl)-4-(5-methyl-2-bicyclo[4.1.0]hepta-2,4-dienyl)piperidine?
The InChIKey is RXVTXCZGHQLUMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN/c1-11-2-3-13(15-10-14(11)15)12-4-7-17(8-5-12)9-6-16/h2-3,12,14-15H,4-10H2,1H3.
What are the key properties of 1-(2-fluoroethyl)-4-(5-methyl-2-bicyclo[4.1.0]hepta-2,4-dienyl)piperidine?
1-(2-fluoroethyl)-4-(5-methyl-2-bicyclo[4.1.0]hepta-2,4-dienyl)piperidine has a molecular weight of 235.35 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-4-(5-methyl-2-bicyclo[4.1.0]hepta-2,4-dienyl)piperidine is sourced from PubChem (CID 142308852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).