2-[3-(3,3-difluorocyclohexyl)-2-methylprop-2-enyl]piperidine

C15H25F2N — CID 114225486

IUPAC2-[3-(3,3-difluorocyclohexyl)-2-methylprop-2-enyl]piperidine
SMILESCC(=CC1CCCC(F)(F)C1)CC1CCCCN1
InChIInChI=1S/C15H25F2N/c1-12(10-14-6-2-3-8-18-14)9-13-5-4-7-15(16,17)11-13/h9,13-14,18H,2-8,10-11H2,1H3
InChIKeyQKHMIKVFUJUSLF-UHFFFAOYSA-N
MW257.37 g/mol
LogP4.29
Rot. Bonds3

About 2-[3-(3,3-difluorocyclohexyl)-2-methylprop-2-enyl]piperidine

2-[3-(3,3-difluorocyclohexyl)-2-methylprop-2-enyl]piperidine (PubChem CID 114225486) has the molecular formula C15H25F2N and a molecular weight of 257.37 g/mol. Its IUPAC name is 2-[3-(3,3-difluorocyclohexyl)-2-methylprop-2-enyl]piperidine.

Molecular Properties

Compound Name2-[3-(3,3-difluorocyclohexyl)-2-methylprop-2-enyl]piperidine
PubChem CID114225486
Molecular FormulaC15H25F2N
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Name2-[3-(3,3-difluorocyclohexyl)-2-methylprop-2-enyl]piperidine
SMILESCC(=CC1CCCC(F)(F)C1)CC1CCCCN1
InChIInChI=1S/C15H25F2N/c1-12(10-14-6-2-3-8-18-14)9-13-5-4-7-15(16,17)11-13/h9,13-14,18H,2-8,10-11H2,1H3
InChIKeyQKHMIKVFUJUSLF-UHFFFAOYSA-N
XLogP4.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 54.29
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

N-[2-(cyclohexen-1-yl)ethyl]-1-cyclohexylpentan-2-amine
CID 172469915
(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
2-[5-(Trifluoromethyl)hept-1-en-2-yl]piperidine
CID 70329148
N-[1-[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]ethyl]propan-1-amine
CID 70842357
(2R,3R)-3-ethyl-2-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperidine
CID 70903487
(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
6-(1,1-Difluoroethyl)-4-propan-2-yl-1,2,3,6-tetrahydropyridine
CID 118357208
6-(4-Fluoro-5-methylcyclohex-2-en-1-yl)-5-methyl-1,2,3,6-tetrahydropyridine
CID 118448092

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,3-difluorocyclohexyl)-2-methylprop-2-enyl]piperidine?
The IUPAC name of 2-[3-(3,3-difluorocyclohexyl)-2-methylprop-2-enyl]piperidine (CID 114225486) is 2-[3-(3,3-difluorocyclohexyl)-2-methylprop-2-enyl]piperidine.
What is the SMILES notation for 2-[3-(3,3-difluorocyclohexyl)-2-methylprop-2-enyl]piperidine?
The canonical SMILES for 2-[3-(3,3-difluorocyclohexyl)-2-methylprop-2-enyl]piperidine is CC(=CC1CCCC(F)(F)C1)CC1CCCCN1.
What is the InChIKey of 2-[3-(3,3-difluorocyclohexyl)-2-methylprop-2-enyl]piperidine?
The InChIKey is QKHMIKVFUJUSLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F2N/c1-12(10-14-6-2-3-8-18-14)9-13-5-4-7-15(16,17)11-13/h9,13-14,18H,2-8,10-11H2,1H3.
What are the key properties of 2-[3-(3,3-difluorocyclohexyl)-2-methylprop-2-enyl]piperidine?
2-[3-(3,3-difluorocyclohexyl)-2-methylprop-2-enyl]piperidine has a molecular weight of 257.37 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,3-difluorocyclohexyl)-2-methylprop-2-enyl]piperidine is sourced from PubChem (CID 114225486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).