4-fluoro-1-(4-methylsulfanylpyrrolidin-3-yl)piperidine

C10H19FN2S — CID 164659405

IUPAC4-fluoro-1-(4-methylsulfanylpyrrolidin-3-yl)piperidine
SMILESCSC1CNCC1N1CCC(F)CC1
InChIInChI=1S/C10H19FN2S/c1-14-10-7-12-6-9(10)13-4-2-8(11)3-5-13/h8-10,12H,2-7H2,1H3
InChIKeyFYFLIWHJTKQSBL-UHFFFAOYSA-N
MW218.34 g/mol
LogP1.12
Rot. Bonds2

About 4-fluoro-1-(4-methylsulfanylpyrrolidin-3-yl)piperidine

4-fluoro-1-(4-methylsulfanylpyrrolidin-3-yl)piperidine (PubChem CID 164659405) has the molecular formula C10H19FN2S and a molecular weight of 218.34 g/mol. Its IUPAC name is 4-fluoro-1-(4-methylsulfanylpyrrolidin-3-yl)piperidine.

Molecular Properties

Compound Name4-fluoro-1-(4-methylsulfanylpyrrolidin-3-yl)piperidine
PubChem CID164659405
Molecular FormulaC10H19FN2S
Molecular Weight218.34 g/mol
Exact Mass218.13
IUPAC Name4-fluoro-1-(4-methylsulfanylpyrrolidin-3-yl)piperidine
SMILESCSC1CNCC1N1CCC(F)CC1
InChIInChI=1S/C10H19FN2S/c1-14-10-7-12-6-9(10)13-4-2-8(11)3-5-13/h8-10,12H,2-7H2,1H3
InChIKeyFYFLIWHJTKQSBL-UHFFFAOYSA-N
XLogP1.12
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4R)-3-fluoro-1-[5-[[(5R)-5-(sulfanylmethyl)pyrrolidin-3-yl]sulfanylmethyl]pyrrolidin-3-yl]piperidine-4-thiol
CID 156045483
1-[[(3R,5R)-3-fluoro-5-methylsulfanylpyrrolidin-3-yl]methyl]piperazine
CID 169666642
1-Methyl-N-[3-(methylsulfanyl)propyl]piperidin-4-amine
CID 43216125
N-(3-methylsulfanylpropyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 63983391
N-(thiolan-2-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 80584187
1-(4-Methylsulfanylpyrrolidin-3-yl)-4-(2,2,2-trifluoroethyl)piperazine
CID 82759852
N-ethyl-4-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
CID 82760081
4-methylsulfanyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
CID 82760244
4-methylsulfanyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
CID 82760327
1-(4-Methylsulfanylpyrrolidin-3-yl)-3-(trifluoromethyl)piperidine
CID 82760328
N-methyl-4-methylsulfanyl-N-(3,3,3-trifluoropropyl)pyrrolidin-3-amine
CID 82760337
1-(4-Methylsulfanylpyrrolidin-3-yl)-4-(trifluoromethyl)piperidine
CID 82760338

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-(4-methylsulfanylpyrrolidin-3-yl)piperidine?
The IUPAC name of 4-fluoro-1-(4-methylsulfanylpyrrolidin-3-yl)piperidine (CID 164659405) is 4-fluoro-1-(4-methylsulfanylpyrrolidin-3-yl)piperidine.
What is the SMILES notation for 4-fluoro-1-(4-methylsulfanylpyrrolidin-3-yl)piperidine?
The canonical SMILES for 4-fluoro-1-(4-methylsulfanylpyrrolidin-3-yl)piperidine is CSC1CNCC1N1CCC(F)CC1.
What is the InChIKey of 4-fluoro-1-(4-methylsulfanylpyrrolidin-3-yl)piperidine?
The InChIKey is FYFLIWHJTKQSBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FN2S/c1-14-10-7-12-6-9(10)13-4-2-8(11)3-5-13/h8-10,12H,2-7H2,1H3.
What are the key properties of 4-fluoro-1-(4-methylsulfanylpyrrolidin-3-yl)piperidine?
4-fluoro-1-(4-methylsulfanylpyrrolidin-3-yl)piperidine has a molecular weight of 218.34 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-(4-methylsulfanylpyrrolidin-3-yl)piperidine is sourced from PubChem (CID 164659405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).