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

C11H16FNS — CID 112563898

IUPAC4-[fluoro-(5-methylthiophen-3-yl)methyl]piperidine
SMILESCc1cc(C(F)C2CCNCC2)cs1
InChIInChI=1S/C11H16FNS/c1-8-6-10(7-14-8)11(12)9-2-4-13-5-3-9/h6-7,9,11,13H,2-5H2,1H3
InChIKeyPXCCDMXHKOMOGQ-UHFFFAOYSA-N
MW213.32 g/mol
LogP3.07
Rot. Bonds2

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

4-[fluoro-(5-methylthiophen-3-yl)methyl]piperidine (PubChem CID 112563898) has the molecular formula C11H16FNS and a molecular weight of 213.32 g/mol. Its IUPAC name is 4-[fluoro-(5-methylthiophen-3-yl)methyl]piperidine.

Molecular Properties

Compound Name4-[fluoro-(5-methylthiophen-3-yl)methyl]piperidine
PubChem CID112563898
Molecular FormulaC11H16FNS
Molecular Weight213.32 g/mol
Exact Mass213.10
IUPAC Name4-[fluoro-(5-methylthiophen-3-yl)methyl]piperidine
SMILESCc1cc(C(F)C2CCNCC2)cs1
InChIInChI=1S/C11H16FNS/c1-8-6-10(7-14-8)11(12)9-2-4-13-5-3-9/h6-7,9,11,13H,2-5H2,1H3
InChIKeyPXCCDMXHKOMOGQ-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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Related Compounds

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CID 1817795
4-(2-Thienyl)piperidine
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4-(3-Thienyl)piperidine
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8-[5-(Piperidin-4-ylmethyl)thiophen-2-yl]octan-1-amine
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N-[2-(2-fluorophenyl)ethyl]-N-[(3-methyl-2-thienyl)methyl]amine
CID 1817793
7-Isopropyl-4,5,6,7-tetrahydro-thieno[2,3-c]pyridine
CID 14548170
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
1-(4-Methylthiophen-2-yl)-3-aza-bicyclo[3.1.0]hexane
CID 44561250
4-(5-Fluoro-1-benzothiophen-7-yl)-3-methylpiperidine
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4-(6-Fluoro-1-benzothiophen-7-yl)-3-methylpiperidine
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2-Thenylamine, alpha-(m-fluorobenzyl)-N-isopropyl-, hydrochloride
CID 3062016

Frequently Asked Questions

What is the IUPAC name of 4-[fluoro-(5-methylthiophen-3-yl)methyl]piperidine?
The IUPAC name of 4-[fluoro-(5-methylthiophen-3-yl)methyl]piperidine (CID 112563898) is 4-[fluoro-(5-methylthiophen-3-yl)methyl]piperidine.
What is the SMILES notation for 4-[fluoro-(5-methylthiophen-3-yl)methyl]piperidine?
The canonical SMILES for 4-[fluoro-(5-methylthiophen-3-yl)methyl]piperidine is Cc1cc(C(F)C2CCNCC2)cs1.
What is the InChIKey of 4-[fluoro-(5-methylthiophen-3-yl)methyl]piperidine?
The InChIKey is PXCCDMXHKOMOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNS/c1-8-6-10(7-14-8)11(12)9-2-4-13-5-3-9/h6-7,9,11,13H,2-5H2,1H3.
What are the key properties of 4-[fluoro-(5-methylthiophen-3-yl)methyl]piperidine?
4-[fluoro-(5-methylthiophen-3-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-(5-methylthiophen-3-yl)methyl]piperidine is sourced from PubChem (CID 112563898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).