3-(cyclohepten-1-yl)-3-fluoropiperidine

C12H20FN — CID 106655014

IUPAC3-(cyclohepten-1-yl)-3-fluoropiperidine
SMILESFC1(C2=CCCCCC2)CCCNC1
InChIInChI=1S/C12H20FN/c13-12(8-5-9-14-10-12)11-6-3-1-2-4-7-11/h6,14H,1-5,7-10H2
InChIKeyHQUUJQFRZBYVMQ-UHFFFAOYSA-N
MW197.30 g/mol
LogP2.97
Rot. Bonds1

About 3-(cyclohepten-1-yl)-3-fluoropiperidine

3-(cyclohepten-1-yl)-3-fluoropiperidine (PubChem CID 106655014) has the molecular formula C12H20FN and a molecular weight of 197.30 g/mol. Its IUPAC name is 3-(cyclohepten-1-yl)-3-fluoropiperidine.

Molecular Properties

Compound Name3-(cyclohepten-1-yl)-3-fluoropiperidine
PubChem CID106655014
Molecular FormulaC12H20FN
Molecular Weight197.30 g/mol
Exact Mass197.16
IUPAC Name3-(cyclohepten-1-yl)-3-fluoropiperidine
SMILESFC1(C2=CCCCCC2)CCCNC1
InChIInChI=1S/C12H20FN/c13-12(8-5-9-14-10-12)11-6-3-1-2-4-7-11/h6,14H,1-5,7-10H2
InChIKeyHQUUJQFRZBYVMQ-UHFFFAOYSA-N
XLogP2.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-[(1R)-4-methylcyclohex-3-en-1-yl]-N-propylbutan-1-amine
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(3S,5R)-5-[(1R,5R)-5-fluorocyclohex-2-en-1-yl]-2-methyl-3-[(Z)-prop-1-enyl]piperidine
CID 71165840
4-(4-Fluorocyclohexen-1-yl)piperidine
CID 89168221
4-[(E)-1-fluorohex-3-en-3-yl]piperidine
CID 89168225
4-(4-Fluorocyclohexa-1,3-dien-1-yl)piperidine
CID 89358844
4-ethyl-2-(1-fluoro-2-methylprop-2-enyl)-N-methylhept-4-en-1-amine
CID 123263201
3-Ethyl-3-[(6-fluorocyclohexa-1,3-dien-1-yl)methyl]piperidine
CID 123407439
4-(2,4-difluoro-5-methylcyclohept-3-en-1-yl)-6-fluoro-2,3,4,4a,7,8,9,9a-octahydro-1H-cyclohepta[c]pyridine
CID 123840601
1-[2-[3-(Trifluoromethyl)cyclohex-2-en-1-yl]ethyl]piperazine
CID 129042810
4-(3-Fluoro-4-propan-2-ylcyclohexa-1,3-dien-1-yl)piperidine
CID 139409634
6-(4-Fluoro-6-methylcyclohept-2-en-1-yl)-5-methyl-1,2,3,6-tetrahydropyridine
CID 139453704
4-[(4E)-5-fluorohepta-4,6-dienyl]piperidine
CID 142871635

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohepten-1-yl)-3-fluoropiperidine?
The IUPAC name of 3-(cyclohepten-1-yl)-3-fluoropiperidine (CID 106655014) is 3-(cyclohepten-1-yl)-3-fluoropiperidine.
What is the SMILES notation for 3-(cyclohepten-1-yl)-3-fluoropiperidine?
The canonical SMILES for 3-(cyclohepten-1-yl)-3-fluoropiperidine is FC1(C2=CCCCCC2)CCCNC1.
What is the InChIKey of 3-(cyclohepten-1-yl)-3-fluoropiperidine?
The InChIKey is HQUUJQFRZBYVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FN/c13-12(8-5-9-14-10-12)11-6-3-1-2-4-7-11/h6,14H,1-5,7-10H2.
What are the key properties of 3-(cyclohepten-1-yl)-3-fluoropiperidine?
3-(cyclohepten-1-yl)-3-fluoropiperidine has a molecular weight of 197.30 g/mol, XLogP of 2.97, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohepten-1-yl)-3-fluoropiperidine is sourced from PubChem (CID 106655014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).