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

C11H16FNS — CID 112563795

IUPAC4-[fluoro-(3-methylthiophen-2-yl)methyl]piperidine
SMILESCc1ccsc1C(F)C1CCNCC1
InChIInChI=1S/C11H16FNS/c1-8-4-7-14-11(8)10(12)9-2-5-13-6-3-9/h4,7,9-10,13H,2-3,5-6H2,1H3
InChIKeyNEZINFRNQUDRJT-UHFFFAOYSA-N
MW213.32 g/mol
LogP3.07
Rot. Bonds2

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

4-[fluoro-(3-methylthiophen-2-yl)methyl]piperidine (PubChem CID 112563795) has the molecular formula C11H16FNS and a molecular weight of 213.32 g/mol. Its IUPAC name is 4-[fluoro-(3-methylthiophen-2-yl)methyl]piperidine.

Molecular Properties

Compound Name4-[fluoro-(3-methylthiophen-2-yl)methyl]piperidine
PubChem CID112563795
Molecular FormulaC11H16FNS
Molecular Weight213.32 g/mol
Exact Mass213.10
IUPAC Name4-[fluoro-(3-methylthiophen-2-yl)methyl]piperidine
SMILESCc1ccsc1C(F)C1CCNCC1
InChIInChI=1S/C11H16FNS/c1-8-4-7-14-11(8)10(12)9-2-5-13-6-3-9/h4,7,9-10,13H,2-3,5-6H2,1H3
InChIKeyNEZINFRNQUDRJT-UHFFFAOYSA-N
XLogP3.07
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 ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[fluoro-(3-methylthiophen-2-yl)methyl]piperidine?
The IUPAC name of 4-[fluoro-(3-methylthiophen-2-yl)methyl]piperidine (CID 112563795) is 4-[fluoro-(3-methylthiophen-2-yl)methyl]piperidine.
What is the SMILES notation for 4-[fluoro-(3-methylthiophen-2-yl)methyl]piperidine?
The canonical SMILES for 4-[fluoro-(3-methylthiophen-2-yl)methyl]piperidine is Cc1ccsc1C(F)C1CCNCC1.
What is the InChIKey of 4-[fluoro-(3-methylthiophen-2-yl)methyl]piperidine?
The InChIKey is NEZINFRNQUDRJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNS/c1-8-4-7-14-11(8)10(12)9-2-5-13-6-3-9/h4,7,9-10,13H,2-3,5-6H2,1H3.
What are the key properties of 4-[fluoro-(3-methylthiophen-2-yl)methyl]piperidine?
4-[fluoro-(3-methylthiophen-2-yl)methyl]piperidine has a molecular weight of 213.32 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[fluoro-(3-methylthiophen-2-yl)methyl]piperidine is sourced from PubChem (CID 112563795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).