1-[(4-bromo-5-methylthiophen-2-yl)methyl]-3,3-difluoropiperidine;ethane

C15H26BrF2NS — CID 143819366

IUPAC1-[(4-bromo-5-methylthiophen-2-yl)methyl]-3,3-difluoropiperidine;ethane
SMILESCC.CC.Cc1sc(CN2CCCC(F)(F)C2)cc1Br
InChIInChI=1S/C11H14BrF2NS.2C2H6/c1-8-10(12)5-9(16-8)6-15-4-2-3-11(13,14)7-15;2*1-2/h5H,2-4,6-7H2,1H3;2*1-2H3
InChIKeyTVYBAVOEVQYURD-UHFFFAOYSA-N
MW370.35 g/mol
LogP6.10
Rot. Bonds2

About 1-[(4-bromo-5-methylthiophen-2-yl)methyl]-3,3-difluoropiperidine;ethane

1-[(4-bromo-5-methylthiophen-2-yl)methyl]-3,3-difluoropiperidine;ethane (PubChem CID 143819366) has the molecular formula C15H26BrF2NS and a molecular weight of 370.35 g/mol. Its IUPAC name is 1-[(4-bromo-5-methylthiophen-2-yl)methyl]-3,3-difluoropiperidine;ethane.

Molecular Properties

Compound Name1-[(4-bromo-5-methylthiophen-2-yl)methyl]-3,3-difluoropiperidine;ethane
PubChem CID143819366
Molecular FormulaC15H26BrF2NS
Molecular Weight370.35 g/mol
Exact Mass369.09
IUPAC Name1-[(4-bromo-5-methylthiophen-2-yl)methyl]-3,3-difluoropiperidine;ethane
SMILESCC.CC.Cc1sc(CN2CCCC(F)(F)C2)cc1Br
InChIInChI=1S/C11H14BrF2NS.2C2H6/c1-8-10(12)5-9(16-8)6-15-4-2-3-11(13,14)7-15;2*1-2/h5H,2-4,6-7H2,1H3;2*1-2H3
InChIKeyTVYBAVOEVQYURD-UHFFFAOYSA-N
XLogP6.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.35
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(5-Bromothiophen-2-yl)methyl]-4-methylpiperazine
CID 677217
N-[(4-bromo-2-thienyl)methyl]-N,N',N'-trimethyl-1,2-ethanediamine
CID 30326957
N-[(4-bromothiophen-2-yl)methyl]-N-methylprop-2-yn-1-amine
CID 60968971
1-((4-Bromothiophen-2-yl)methyl)-4-methylpiperazine
CID 677218
Cambridge id 5264572
CID 764145
1-[(5-Bromothiophen-2-yl)methyl]-4-ethylpiperazine
CID 763267
1-[(5-Methylthiophen-2-yl)methyl]piperidine
CID 71347301
5-Ethyl-2-piperidinomethylthiophene
CID 129803206
1-[(4-Bromo-5-propan-2-ylthiophen-2-yl)methyl]-3,3-difluoropiperidine
CID 58115729
3,3-Difluoro-1-[(5-propan-2-ylthiophen-2-yl)methyl]piperidine
CID 58115843
1-(5-bromothiophen-2-yl)-N,N-dimethylmethanamine
CID 59332723
(3R)-3-fluoro-1-[(5-methylthiophen-2-yl)methyl]piperidine
CID 66807113

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromo-5-methylthiophen-2-yl)methyl]-3,3-difluoropiperidine;ethane?
The IUPAC name of 1-[(4-bromo-5-methylthiophen-2-yl)methyl]-3,3-difluoropiperidine;ethane (CID 143819366) is 1-[(4-bromo-5-methylthiophen-2-yl)methyl]-3,3-difluoropiperidine;ethane.
What is the SMILES notation for 1-[(4-bromo-5-methylthiophen-2-yl)methyl]-3,3-difluoropiperidine;ethane?
The canonical SMILES for 1-[(4-bromo-5-methylthiophen-2-yl)methyl]-3,3-difluoropiperidine;ethane is CC.CC.Cc1sc(CN2CCCC(F)(F)C2)cc1Br.
What is the InChIKey of 1-[(4-bromo-5-methylthiophen-2-yl)methyl]-3,3-difluoropiperidine;ethane?
The InChIKey is TVYBAVOEVQYURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrF2NS.2C2H6/c1-8-10(12)5-9(16-8)6-15-4-2-3-11(13,14)7-15;2*1-2/h5H,2-4,6-7H2,1H3;2*1-2H3.
What are the key properties of 1-[(4-bromo-5-methylthiophen-2-yl)methyl]-3,3-difluoropiperidine;ethane?
1-[(4-bromo-5-methylthiophen-2-yl)methyl]-3,3-difluoropiperidine;ethane has a molecular weight of 370.35 g/mol, XLogP of 6.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromo-5-methylthiophen-2-yl)methyl]-3,3-difluoropiperidine;ethane is sourced from PubChem (CID 143819366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).