4-(3-fluoropiperidin-4-yl)-1,4-thiazepane

C10H19FN2S — CID 164646626

IUPAC4-(3-fluoropiperidin-4-yl)-1,4-thiazepane
SMILESFC1CNCCC1N1CCCSCC1
InChIInChI=1S/C10H19FN2S/c11-9-8-12-3-2-10(9)13-4-1-6-14-7-5-13/h9-10,12H,1-8H2
InChIKeyUCUSQYPLXADAGU-UHFFFAOYSA-N
MW218.34 g/mol
LogP1.13
Rot. Bonds1

About 4-(3-fluoropiperidin-4-yl)-1,4-thiazepane

4-(3-fluoropiperidin-4-yl)-1,4-thiazepane (PubChem CID 164646626) has the molecular formula C10H19FN2S and a molecular weight of 218.34 g/mol. Its IUPAC name is 4-(3-fluoropiperidin-4-yl)-1,4-thiazepane.

Molecular Properties

Compound Name4-(3-fluoropiperidin-4-yl)-1,4-thiazepane
PubChem CID164646626
Molecular FormulaC10H19FN2S
Molecular Weight218.34 g/mol
Exact Mass218.13
IUPAC Name4-(3-fluoropiperidin-4-yl)-1,4-thiazepane
SMILESFC1CNCCC1N1CCCSCC1
InChIInChI=1S/C10H19FN2S/c11-9-8-12-3-2-10(9)13-4-1-6-14-7-5-13/h9-10,12H,1-8H2
InChIKeyUCUSQYPLXADAGU-UHFFFAOYSA-N
XLogP1.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoropiperidin-4-yl)-1,4-thiazepane?
The IUPAC name of 4-(3-fluoropiperidin-4-yl)-1,4-thiazepane (CID 164646626) is 4-(3-fluoropiperidin-4-yl)-1,4-thiazepane.
What is the SMILES notation for 4-(3-fluoropiperidin-4-yl)-1,4-thiazepane?
The canonical SMILES for 4-(3-fluoropiperidin-4-yl)-1,4-thiazepane is FC1CNCCC1N1CCCSCC1.
What is the InChIKey of 4-(3-fluoropiperidin-4-yl)-1,4-thiazepane?
The InChIKey is UCUSQYPLXADAGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FN2S/c11-9-8-12-3-2-10(9)13-4-1-6-14-7-5-13/h9-10,12H,1-8H2.
What are the key properties of 4-(3-fluoropiperidin-4-yl)-1,4-thiazepane?
4-(3-fluoropiperidin-4-yl)-1,4-thiazepane has a molecular weight of 218.34 g/mol, XLogP of 1.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoropiperidin-4-yl)-1,4-thiazepane is sourced from PubChem (CID 164646626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).