3-(cyclohexen-1-yl)-3-fluoropiperidine

C11H18FN — CID 106655012

IUPAC3-(cyclohexen-1-yl)-3-fluoropiperidine
SMILESFC1(C2=CCCCC2)CCCNC1
InChIInChI=1S/C11H18FN/c12-11(7-4-8-13-9-11)10-5-2-1-3-6-10/h5,13H,1-4,6-9H2
InChIKeyVBOBSIPQROHNCD-UHFFFAOYSA-N
MW183.27 g/mol
LogP2.58
Rot. Bonds1

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

3-(cyclohexen-1-yl)-3-fluoropiperidine (PubChem CID 106655012) has the molecular formula C11H18FN and a molecular weight of 183.27 g/mol. Its IUPAC name is 3-(cyclohexen-1-yl)-3-fluoropiperidine.

Molecular Properties

Compound Name3-(cyclohexen-1-yl)-3-fluoropiperidine
PubChem CID106655012
Molecular FormulaC11H18FN
Molecular Weight183.27 g/mol
Exact Mass183.14
IUPAC Name3-(cyclohexen-1-yl)-3-fluoropiperidine
SMILESFC1(C2=CCCCC2)CCCNC1
InChIInChI=1S/C11H18FN/c12-11(7-4-8-13-9-11)10-5-2-1-3-6-10/h5,13H,1-4,6-9H2
InChIKeyVBOBSIPQROHNCD-UHFFFAOYSA-N
XLogP2.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.27
LogP ≤ 52.58
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

2-(1-Cyclohexen-1-YL)-N-(cyclohexylmethyl)-1-ethanamine hydrochloride
CID 11948824
1-[3-[(1R)-4-methylcyclohex-3-en-1-yl]butyl]piperazine
CID 24850675
3-[(1R)-4-methylcyclohex-3-en-1-yl]-N-propylbutan-1-amine
CID 24850676
2-Azaspiro[5.5]undec-8-ene
CID 13106448
Pyridine, 1,2,3,6-tetrahydro-4-(4-piperidinyl)-
CID 5231471
Octahydroisoquinoline
CID 17803259
Octahydrobenz[h]isoquinoline
CID 56633701
(2-Cyclohex-1-EN-1-ylethyl)(cyclohexylmethyl)amine
CID 1787863
(2R)-2-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperidine
CID 68112155
(2R)-4-methyl-2-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperidine
CID 70327342
4-[(4-Fluorocyclohexa-1,3-dien-1-yl)methyl]piperidine-4-carbonitrile
CID 70881230
(2R,3R)-3-ethyl-2-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperidine
CID 70903487

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexen-1-yl)-3-fluoropiperidine?
The IUPAC name of 3-(cyclohexen-1-yl)-3-fluoropiperidine (CID 106655012) is 3-(cyclohexen-1-yl)-3-fluoropiperidine.
What is the SMILES notation for 3-(cyclohexen-1-yl)-3-fluoropiperidine?
The canonical SMILES for 3-(cyclohexen-1-yl)-3-fluoropiperidine is FC1(C2=CCCCC2)CCCNC1.
What is the InChIKey of 3-(cyclohexen-1-yl)-3-fluoropiperidine?
The InChIKey is VBOBSIPQROHNCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FN/c12-11(7-4-8-13-9-11)10-5-2-1-3-6-10/h5,13H,1-4,6-9H2.
What are the key properties of 3-(cyclohexen-1-yl)-3-fluoropiperidine?
3-(cyclohexen-1-yl)-3-fluoropiperidine has a molecular weight of 183.27 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexen-1-yl)-3-fluoropiperidine is sourced from PubChem (CID 106655012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).