4,4-difluoro-1-(4-methylphenyl)piperidine;ethane

C14H21F2N — CID 145061539

IUPAC4,4-difluoro-1-(4-methylphenyl)piperidine;ethane
SMILESCC.Cc1ccc(N2CCC(F)(F)CC2)cc1
InChIInChI=1S/C12H15F2N.C2H6/c1-10-2-4-11(5-3-10)15-8-6-12(13,14)7-9-15;1-2/h2-5H,6-9H2,1H3;1-2H3
InChIKeyVDSDIKVFVIXUEG-UHFFFAOYSA-N
MW241.33 g/mol
LogP4.26
Rot. Bonds1

About 4,4-difluoro-1-(4-methylphenyl)piperidine;ethane

4,4-difluoro-1-(4-methylphenyl)piperidine;ethane (PubChem CID 145061539) has the molecular formula C14H21F2N and a molecular weight of 241.33 g/mol. Its IUPAC name is 4,4-difluoro-1-(4-methylphenyl)piperidine;ethane.

Molecular Properties

Compound Name4,4-difluoro-1-(4-methylphenyl)piperidine;ethane
PubChem CID145061539
Molecular FormulaC14H21F2N
Molecular Weight241.33 g/mol
Exact Mass241.16
IUPAC Name4,4-difluoro-1-(4-methylphenyl)piperidine;ethane
SMILESCC.Cc1ccc(N2CCC(F)(F)CC2)cc1
InChIInChI=1S/C12H15F2N.C2H6/c1-10-2-4-11(5-3-10)15-8-6-12(13,14)7-9-15;1-2/h2-5H,6-9H2,1H3;1-2H3
InChIKeyVDSDIKVFVIXUEG-UHFFFAOYSA-N
XLogP4.26
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4,4-difluoro-1-(4-iodophenyl)piperidine
CID 166883547
2-methyl-7-(4-methylphenyl)-2,7-diazaspiro[3.5]nonane
CID 163257013
1-(3,4-dichlorophenyl)-4,4-difluoropiperidine
CID 117007805
3-(4,4-difluoropiperidin-1-yl)-N,5-dimethylaniline
CID 167273261
5-(4,4-difluoropiperidin-1-yl)-2-propan-2-ylpyridine
CID 121261462
16-(4-methylphenyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 71419396
3,3-difluoro-1-(4-fluorophenyl)pyrrolidine
CID 117007610
1,1-dihydroxy-4-(4-methylphenyl)-1,4-thiazinane;ethane
CID 144607446
ethane;1-(4-methylphenyl)pyrrolidine;prop-1-ene
CID 145031830
1-[3-(4,4-difluoropiperidin-1-yl)phenyl]-4-methylpiperazine
CID 163230338
4-(4-fluoro-4-methylpiperidin-1-yl)aniline
CID 115025957
ethane;1-methyl-4-(4-methylphenyl)piperazine;1-(4-methylphenyl)piperidine
CID 143579449

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-1-(4-methylphenyl)piperidine;ethane?
The IUPAC name of 4,4-difluoro-1-(4-methylphenyl)piperidine;ethane (CID 145061539) is 4,4-difluoro-1-(4-methylphenyl)piperidine;ethane.
What is the SMILES notation for 4,4-difluoro-1-(4-methylphenyl)piperidine;ethane?
The canonical SMILES for 4,4-difluoro-1-(4-methylphenyl)piperidine;ethane is CC.Cc1ccc(N2CCC(F)(F)CC2)cc1.
What is the InChIKey of 4,4-difluoro-1-(4-methylphenyl)piperidine;ethane?
The InChIKey is VDSDIKVFVIXUEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N.C2H6/c1-10-2-4-11(5-3-10)15-8-6-12(13,14)7-9-15;1-2/h2-5H,6-9H2,1H3;1-2H3.
What are the key properties of 4,4-difluoro-1-(4-methylphenyl)piperidine;ethane?
4,4-difluoro-1-(4-methylphenyl)piperidine;ethane has a molecular weight of 241.33 g/mol, XLogP of 4.26, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-1-(4-methylphenyl)piperidine;ethane is sourced from PubChem (CID 145061539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).