2-[fluoro-(5-methylthiophen-3-yl)methyl]piperidine

C11H16FNS — CID 106635079

IUPAC2-[fluoro-(5-methylthiophen-3-yl)methyl]piperidine
SMILESCc1cc(C(F)C2CCCCN2)cs1
InChIInChI=1S/C11H16FNS/c1-8-6-9(7-14-8)11(12)10-4-2-3-5-13-10/h6-7,10-11,13H,2-5H2,1H3
InChIKeyQPQVFHBZDQTHCW-UHFFFAOYSA-N
MW213.32 g/mol
LogP3.21
Rot. Bonds2

About 2-[fluoro-(5-methylthiophen-3-yl)methyl]piperidine

2-[fluoro-(5-methylthiophen-3-yl)methyl]piperidine (PubChem CID 106635079) has the molecular formula C11H16FNS and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-[fluoro-(5-methylthiophen-3-yl)methyl]piperidine.

Molecular Properties

Compound Name2-[fluoro-(5-methylthiophen-3-yl)methyl]piperidine
PubChem CID106635079
Molecular FormulaC11H16FNS
Molecular Weight213.32 g/mol
Exact Mass213.10
IUPAC Name2-[fluoro-(5-methylthiophen-3-yl)methyl]piperidine
SMILESCc1cc(C(F)C2CCCCN2)cs1
InChIInChI=1S/C11H16FNS/c1-8-6-9(7-14-8)11(12)10-4-2-3-5-13-10/h6-7,10-11,13H,2-5H2,1H3
InChIKeyQPQVFHBZDQTHCW-UHFFFAOYSA-N
XLogP3.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[fluoro(piperidin-2-yl)methyl]-5-methoxypyridine
CID 106634961
2-[fluoro-(3-methylthiophen-2-yl)methyl]pyrrolidine
CID 106640377
2-[3,4-dihydro-2H-1,5-benzodioxepin-7-yl(fluoro)methyl]piperidine
CID 106634988
2-[fluoro-(4-methoxy-2-methylphenyl)methyl]piperidine
CID 106635068
2-[fluoro-(4-methylphenyl)methyl]azetidine
CID 105438220
(5-methylthiophen-3-yl)-piperidin-2-ylmethanone
CID 116547920
2-[3,4-dihydro-2H-pyran-6-yl(fluoro)methyl]piperidine
CID 106634971
2-[1-benzofuran-2-yl(fluoro)methyl]piperidine
CID 106635014
1-cycloheptyl-N-methyl-1-(5-methylthiophen-3-yl)methanamine
CID 65399489
2-[fluoro-(3-propan-2-yloxyphenyl)methyl]pyrrolidine
CID 106640253
5-[fluoro(piperidin-2-yl)methyl]-1,3-thiazol-2-amine
CID 106634978
(4-fluoro-3-methylphenyl)-piperidin-2-ylmethanamine
CID 116935640

Frequently Asked Questions

What is the IUPAC name of 2-[fluoro-(5-methylthiophen-3-yl)methyl]piperidine?
The IUPAC name of 2-[fluoro-(5-methylthiophen-3-yl)methyl]piperidine (CID 106635079) is 2-[fluoro-(5-methylthiophen-3-yl)methyl]piperidine.
What is the SMILES notation for 2-[fluoro-(5-methylthiophen-3-yl)methyl]piperidine?
The canonical SMILES for 2-[fluoro-(5-methylthiophen-3-yl)methyl]piperidine is Cc1cc(C(F)C2CCCCN2)cs1.
What is the InChIKey of 2-[fluoro-(5-methylthiophen-3-yl)methyl]piperidine?
The InChIKey is QPQVFHBZDQTHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNS/c1-8-6-9(7-14-8)11(12)10-4-2-3-5-13-10/h6-7,10-11,13H,2-5H2,1H3.
What are the key properties of 2-[fluoro-(5-methylthiophen-3-yl)methyl]piperidine?
2-[fluoro-(5-methylthiophen-3-yl)methyl]piperidine has a molecular weight of 213.32 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[fluoro-(5-methylthiophen-3-yl)methyl]piperidine is sourced from PubChem (CID 106635079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).