4-fluoro-3-methyl-4-(5-methylthiophen-2-yl)piperidine

C11H16FNS — CID 130590339

IUPAC4-fluoro-3-methyl-4-(5-methylthiophen-2-yl)piperidine
SMILESCc1ccc(C2(F)CCNCC2C)s1
InChIInChI=1S/C11H16FNS/c1-8-7-13-6-5-11(8,12)10-4-3-9(2)14-10/h3-4,8,13H,5-7H2,1-2H3
InChIKeyFEWCYPKZGCPIGY-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.85
Rot. Bonds1

About 4-fluoro-3-methyl-4-(5-methylthiophen-2-yl)piperidine

4-fluoro-3-methyl-4-(5-methylthiophen-2-yl)piperidine (PubChem CID 130590339) has the molecular formula C11H16FNS and a molecular weight of 213.32 g/mol. Its IUPAC name is 4-fluoro-3-methyl-4-(5-methylthiophen-2-yl)piperidine.

Molecular Properties

Compound Name4-fluoro-3-methyl-4-(5-methylthiophen-2-yl)piperidine
PubChem CID130590339
Molecular FormulaC11H16FNS
Molecular Weight213.32 g/mol
Exact Mass213.10
IUPAC Name4-fluoro-3-methyl-4-(5-methylthiophen-2-yl)piperidine
SMILESCc1ccc(C2(F)CCNCC2C)s1
InChIInChI=1S/C11H16FNS/c1-8-7-13-6-5-11(8,12)10-4-3-9(2)14-10/h3-4,8,13H,5-7H2,1-2H3
InChIKeyFEWCYPKZGCPIGY-UHFFFAOYSA-N
XLogP2.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(Thiophen-2-yl)-3-aza-bicyclo[3.1.0]hexane
CID 44561207
(1R,5R)-1-(2-Thienyl)-3-azabicyclo[3.1.0]hexane
CID 44561208
(1S,5S)-1-(2-Thienyl)-3-azabicyclo[3.1.0]hexane
CID 44561209
4-(2-Thienyl)piperidine
CID 19095574
8-[5-(Piperidin-4-ylmethyl)thiophen-2-yl]octan-1-amine
CID 16126037
(cis)-2-Methyl-1-(thiophen-2-yl)-3-aza-bicyclo[3.1.0]hexane
CID 44561131
(trans)-4-Methyl-1-(thiophen-2-yl)-3-aza-bicyclo[3.1.0]hexane
CID 44561210
(cis)-4-Methyl-1-(thiophen-2-yl)-3-aza-bicyclo[3.1.0]hexane
CID 44561211
1-(5-(Trifluoromethyl)thiophen-2-yl)-3-aza-bicyclo[3.1.0]hexane
CID 44561251
(1S,5S)-1-(5-fluorothiophen-2-yl)-3-aza-bicyclo[3.1.0]hexane
CID 44561256
N-methyl-8-[5-(piperidin-4-ylmethyl)thiophen-2-yl]octan-1-amine
CID 16126035
N,N-dimethyl-8-[5-(piperidin-4-ylmethyl)thiophen-2-yl]octan-1-amine
CID 16126036

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyl-4-(5-methylthiophen-2-yl)piperidine?
The IUPAC name of 4-fluoro-3-methyl-4-(5-methylthiophen-2-yl)piperidine (CID 130590339) is 4-fluoro-3-methyl-4-(5-methylthiophen-2-yl)piperidine.
What is the SMILES notation for 4-fluoro-3-methyl-4-(5-methylthiophen-2-yl)piperidine?
The canonical SMILES for 4-fluoro-3-methyl-4-(5-methylthiophen-2-yl)piperidine is Cc1ccc(C2(F)CCNCC2C)s1.
What is the InChIKey of 4-fluoro-3-methyl-4-(5-methylthiophen-2-yl)piperidine?
The InChIKey is FEWCYPKZGCPIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNS/c1-8-7-13-6-5-11(8,12)10-4-3-9(2)14-10/h3-4,8,13H,5-7H2,1-2H3.
What are the key properties of 4-fluoro-3-methyl-4-(5-methylthiophen-2-yl)piperidine?
4-fluoro-3-methyl-4-(5-methylthiophen-2-yl)piperidine has a molecular weight of 213.32 g/mol, XLogP of 2.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methyl-4-(5-methylthiophen-2-yl)piperidine is sourced from PubChem (CID 130590339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).