[1-(2-fluoroethyl)-4-methylsulfanylpiperidin-4-yl]methanamine

C9H19FN2S — CID 80698978

IUPAC[1-(2-fluoroethyl)-4-methylsulfanylpiperidin-4-yl]methanamine
SMILESCSC1(CN)CCN(CCF)CC1
InChIInChI=1S/C9H19FN2S/c1-13-9(8-11)2-5-12(6-3-9)7-4-10/h2-8,11H2,1H3
InChIKeyQFKJXYSIEQBGNP-UHFFFAOYSA-N
MW206.33 g/mol
LogP1.11
Rot. Bonds4

About [1-(2-fluoroethyl)-4-methylsulfanylpiperidin-4-yl]methanamine

[1-(2-fluoroethyl)-4-methylsulfanylpiperidin-4-yl]methanamine (PubChem CID 80698978) has the molecular formula C9H19FN2S and a molecular weight of 206.33 g/mol. Its IUPAC name is [1-(2-fluoroethyl)-4-methylsulfanylpiperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-(2-fluoroethyl)-4-methylsulfanylpiperidin-4-yl]methanamine
PubChem CID80698978
Molecular FormulaC9H19FN2S
Molecular Weight206.33 g/mol
Exact Mass206.13
IUPAC Name[1-(2-fluoroethyl)-4-methylsulfanylpiperidin-4-yl]methanamine
SMILESCSC1(CN)CCN(CCF)CC1
InChIInChI=1S/C9H19FN2S/c1-13-9(8-11)2-5-12(6-3-9)7-4-10/h2-8,11H2,1H3
InChIKeyQFKJXYSIEQBGNP-UHFFFAOYSA-N
XLogP1.11
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(2-fluoroethyl)-4-methylsulfanylpiperidin-4-yl]methanamine?
The IUPAC name of [1-(2-fluoroethyl)-4-methylsulfanylpiperidin-4-yl]methanamine (CID 80698978) is [1-(2-fluoroethyl)-4-methylsulfanylpiperidin-4-yl]methanamine.
What is the SMILES notation for [1-(2-fluoroethyl)-4-methylsulfanylpiperidin-4-yl]methanamine?
The canonical SMILES for [1-(2-fluoroethyl)-4-methylsulfanylpiperidin-4-yl]methanamine is CSC1(CN)CCN(CCF)CC1.
What is the InChIKey of [1-(2-fluoroethyl)-4-methylsulfanylpiperidin-4-yl]methanamine?
The InChIKey is QFKJXYSIEQBGNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19FN2S/c1-13-9(8-11)2-5-12(6-3-9)7-4-10/h2-8,11H2,1H3.
What are the key properties of [1-(2-fluoroethyl)-4-methylsulfanylpiperidin-4-yl]methanamine?
[1-(2-fluoroethyl)-4-methylsulfanylpiperidin-4-yl]methanamine has a molecular weight of 206.33 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-fluoroethyl)-4-methylsulfanylpiperidin-4-yl]methanamine is sourced from PubChem (CID 80698978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).