[4-fluoro-1-(thian-4-yl)piperidin-4-yl]methanamine

C11H21FN2S — CID 115039146

IUPAC[4-fluoro-1-(thian-4-yl)piperidin-4-yl]methanamine
SMILESNCC1(F)CCN(C2CCSCC2)CC1
InChIInChI=1S/C11H21FN2S/c12-11(9-13)3-5-14(6-4-11)10-1-7-15-8-2-10/h10H,1-9,13H2
InChIKeyKPBXEDFETZWILN-UHFFFAOYSA-N
MW232.37 g/mol
LogP1.64
Rot. Bonds2

About [4-fluoro-1-(thian-4-yl)piperidin-4-yl]methanamine

[4-fluoro-1-(thian-4-yl)piperidin-4-yl]methanamine (PubChem CID 115039146) has the molecular formula C11H21FN2S and a molecular weight of 232.37 g/mol. Its IUPAC name is [4-fluoro-1-(thian-4-yl)piperidin-4-yl]methanamine.

Molecular Properties

Compound Name[4-fluoro-1-(thian-4-yl)piperidin-4-yl]methanamine
PubChem CID115039146
Molecular FormulaC11H21FN2S
Molecular Weight232.37 g/mol
Exact Mass232.14
IUPAC Name[4-fluoro-1-(thian-4-yl)piperidin-4-yl]methanamine
SMILESNCC1(F)CCN(C2CCSCC2)CC1
InChIInChI=1S/C11H21FN2S/c12-11(9-13)3-5-14(6-4-11)10-1-7-15-8-2-10/h10H,1-9,13H2
InChIKeyKPBXEDFETZWILN-UHFFFAOYSA-N
XLogP1.64
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(tetrahydro-2H-thiopyran-4-yl)piperidin-4-amine
CID 45791253
[4-[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]thian-4-yl]methanamine
CID 54981886
[3-[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]thian-3-yl]methanamine
CID 62870955
3-[2-[4-(Trifluoromethyl)piperidin-1-yl]ethyl]thiomorpholine
CID 66420756
[1-(2-Fluoroethyl)-4-methylsulfanylpiperidin-4-yl]methanamine
CID 80698978
[1-(3-Fluoropropyl)-4-methylsulfanylpiperidin-4-yl]methanamine
CID 81105376
3-[[4-(Trifluoromethyl)piperidin-1-yl]methyl]thiomorpholine
CID 82916698
N-[(4-fluoropiperidin-4-yl)methyl]thiolan-3-amine
CID 105473222
5-(3-Methylthiomorpholin-4-yl)-3-(trifluoromethyl)pentan-1-amine
CID 112737928
1-(2-Piperidin-4-ylsulfanylethyl)-4-(trifluoromethyl)piperidine
CID 114628726
3-(Fluoromethyl)-1-(thian-4-yl)piperidin-3-amine
CID 115039143
[3-Fluoro-1-(thian-4-yl)piperidin-3-yl]methanamine
CID 115039144

Frequently Asked Questions

What is the IUPAC name of [4-fluoro-1-(thian-4-yl)piperidin-4-yl]methanamine?
The IUPAC name of [4-fluoro-1-(thian-4-yl)piperidin-4-yl]methanamine (CID 115039146) is [4-fluoro-1-(thian-4-yl)piperidin-4-yl]methanamine.
What is the SMILES notation for [4-fluoro-1-(thian-4-yl)piperidin-4-yl]methanamine?
The canonical SMILES for [4-fluoro-1-(thian-4-yl)piperidin-4-yl]methanamine is NCC1(F)CCN(C2CCSCC2)CC1.
What is the InChIKey of [4-fluoro-1-(thian-4-yl)piperidin-4-yl]methanamine?
The InChIKey is KPBXEDFETZWILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21FN2S/c12-11(9-13)3-5-14(6-4-11)10-1-7-15-8-2-10/h10H,1-9,13H2.
What are the key properties of [4-fluoro-1-(thian-4-yl)piperidin-4-yl]methanamine?
[4-fluoro-1-(thian-4-yl)piperidin-4-yl]methanamine has a molecular weight of 232.37 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-1-(thian-4-yl)piperidin-4-yl]methanamine is sourced from PubChem (CID 115039146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).