(3R)-3-fluoro-1-[(5-methylthiophen-2-yl)methyl]piperidine

C11H16FNS — CID 66807113

IUPAC(3R)-3-fluoro-1-[(5-methylthiophen-2-yl)methyl]piperidine
SMILESCc1ccc(CN2CCC[C@@H](F)C2)s1
InChIInChI=1S/C11H16FNS/c1-9-4-5-11(14-9)8-13-6-2-3-10(12)7-13/h4-5,10H,2-3,6-8H2,1H3/t10-/m1/s1
InChIKeyGLMMNCZIOCVBHB-SNVBAGLBSA-N
MW213.32 g/mol
LogP2.99
Rot. Bonds2

About (3R)-3-fluoro-1-[(5-methylthiophen-2-yl)methyl]piperidine

(3R)-3-fluoro-1-[(5-methylthiophen-2-yl)methyl]piperidine (PubChem CID 66807113) has the molecular formula C11H16FNS and a molecular weight of 213.32 g/mol. Its IUPAC name is (3R)-3-fluoro-1-[(5-methylthiophen-2-yl)methyl]piperidine.

Molecular Properties

Compound Name(3R)-3-fluoro-1-[(5-methylthiophen-2-yl)methyl]piperidine
PubChem CID66807113
Molecular FormulaC11H16FNS
Molecular Weight213.32 g/mol
Exact Mass213.10
IUPAC Name(3R)-3-fluoro-1-[(5-methylthiophen-2-yl)methyl]piperidine
SMILESCc1ccc(CN2CCC[C@@H](F)C2)s1
InChIInChI=1S/C11H16FNS/c1-9-4-5-11(14-9)8-13-6-2-3-10(12)7-13/h4-5,10H,2-3,6-8H2,1H3/t10-/m1/s1
InChIKeyGLMMNCZIOCVBHB-SNVBAGLBSA-N
XLogP2.99
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-fluoro-1-[(5-methylthiophen-2-yl)methyl]piperidine?
The IUPAC name of (3R)-3-fluoro-1-[(5-methylthiophen-2-yl)methyl]piperidine (CID 66807113) is (3R)-3-fluoro-1-[(5-methylthiophen-2-yl)methyl]piperidine.
What is the SMILES notation for (3R)-3-fluoro-1-[(5-methylthiophen-2-yl)methyl]piperidine?
The canonical SMILES for (3R)-3-fluoro-1-[(5-methylthiophen-2-yl)methyl]piperidine is Cc1ccc(CN2CCC[C@@H](F)C2)s1.
What is the InChIKey of (3R)-3-fluoro-1-[(5-methylthiophen-2-yl)methyl]piperidine?
The InChIKey is GLMMNCZIOCVBHB-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H16FNS/c1-9-4-5-11(14-9)8-13-6-2-3-10(12)7-13/h4-5,10H,2-3,6-8H2,1H3/t10-/m1/s1.
What are the key properties of (3R)-3-fluoro-1-[(5-methylthiophen-2-yl)methyl]piperidine?
(3R)-3-fluoro-1-[(5-methylthiophen-2-yl)methyl]piperidine has a molecular weight of 213.32 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-fluoro-1-[(5-methylthiophen-2-yl)methyl]piperidine is sourced from PubChem (CID 66807113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).