1-[(6-fluoro-2-thiophen-3-yl-4H-1,3-benzodioxin-8-yl)methyl]-3,5-dimethylpiperidine

C20H24FNO2S — CID 47010404

IUPAC1-[(6-fluoro-2-thiophen-3-yl-4H-1,3-benzodioxin-8-yl)methyl]-3,5-dimethylpiperidine
SMILESCC1CC(C)CN(Cc2cc(F)cc3c2OC(c2ccsc2)OC3)C1
InChIInChI=1S/C20H24FNO2S/c1-13-5-14(2)9-22(8-13)10-16-6-18(21)7-17-11-23-20(24-19(16)17)15-3-4-25-12-15/h3-4,6-7,12-14,20H,5,8-11H2,1-2H3
InChIKeyZBYJAJDJZJDFFS-UHFFFAOYSA-N
MW361.48 g/mol
LogP4.97
Rot. Bonds3

About 1-[(6-fluoro-2-thiophen-3-yl-4H-1,3-benzodioxin-8-yl)methyl]-3,5-dimethylpiperidine

1-[(6-fluoro-2-thiophen-3-yl-4H-1,3-benzodioxin-8-yl)methyl]-3,5-dimethylpiperidine (PubChem CID 47010404) has the molecular formula C20H24FNO2S and a molecular weight of 361.48 g/mol. Its IUPAC name is 1-[(6-fluoro-2-thiophen-3-yl-4H-1,3-benzodioxin-8-yl)methyl]-3,5-dimethylpiperidine.

Molecular Properties

Compound Name1-[(6-fluoro-2-thiophen-3-yl-4H-1,3-benzodioxin-8-yl)methyl]-3,5-dimethylpiperidine
PubChem CID47010404
Molecular FormulaC20H24FNO2S
Molecular Weight361.48 g/mol
Exact Mass361.15
IUPAC Name1-[(6-fluoro-2-thiophen-3-yl-4H-1,3-benzodioxin-8-yl)methyl]-3,5-dimethylpiperidine
SMILESCC1CC(C)CN(Cc2cc(F)cc3c2OC(c2ccsc2)OC3)C1
InChIInChI=1S/C20H24FNO2S/c1-13-5-14(2)9-22(8-13)10-16-6-18(21)7-17-11-23-20(24-19(16)17)15-3-4-25-12-15/h3-4,6-7,12-14,20H,5,8-11H2,1-2H3
InChIKeyZBYJAJDJZJDFFS-UHFFFAOYSA-N
XLogP4.97
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.48
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

CID 145987353
CID 145987353
CID 86017730
CID 86017730
CID 46243939
CID 46243939
CID 47010370
CID 47010370
CID 47010427
CID 47010427
CID 47010441
CID 47010441
CID 47010558
CID 47010558
CID 72022688
CID 72022688
CID 75459793
CID 75459793
CID 67900004
CID 67900004
CID 16290651
CID 16290651
CID 17500271
CID 17500271

Frequently Asked Questions

What is the IUPAC name of 1-[(6-fluoro-2-thiophen-3-yl-4H-1,3-benzodioxin-8-yl)methyl]-3,5-dimethylpiperidine?
The IUPAC name of 1-[(6-fluoro-2-thiophen-3-yl-4H-1,3-benzodioxin-8-yl)methyl]-3,5-dimethylpiperidine (CID 47010404) is 1-[(6-fluoro-2-thiophen-3-yl-4H-1,3-benzodioxin-8-yl)methyl]-3,5-dimethylpiperidine.
What is the SMILES notation for 1-[(6-fluoro-2-thiophen-3-yl-4H-1,3-benzodioxin-8-yl)methyl]-3,5-dimethylpiperidine?
The canonical SMILES for 1-[(6-fluoro-2-thiophen-3-yl-4H-1,3-benzodioxin-8-yl)methyl]-3,5-dimethylpiperidine is CC1CC(C)CN(Cc2cc(F)cc3c2OC(c2ccsc2)OC3)C1.
What is the InChIKey of 1-[(6-fluoro-2-thiophen-3-yl-4H-1,3-benzodioxin-8-yl)methyl]-3,5-dimethylpiperidine?
The InChIKey is ZBYJAJDJZJDFFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNO2S/c1-13-5-14(2)9-22(8-13)10-16-6-18(21)7-17-11-23-20(24-19(16)17)15-3-4-25-12-15/h3-4,6-7,12-14,20H,5,8-11H2,1-2H3.
What are the key properties of 1-[(6-fluoro-2-thiophen-3-yl-4H-1,3-benzodioxin-8-yl)methyl]-3,5-dimethylpiperidine?
1-[(6-fluoro-2-thiophen-3-yl-4H-1,3-benzodioxin-8-yl)methyl]-3,5-dimethylpiperidine has a molecular weight of 361.48 g/mol, XLogP of 4.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-fluoro-2-thiophen-3-yl-4H-1,3-benzodioxin-8-yl)methyl]-3,5-dimethylpiperidine is sourced from PubChem (CID 47010404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).