1-[(4-fluorothian-4-yl)methyl]piperazine

C10H19FN2S — CID 126845750

IUPAC1-[(4-fluorothian-4-yl)methyl]piperazine
SMILESFC1(CN2CCNCC2)CCSCC1
InChIInChI=1S/C10H19FN2S/c11-10(1-7-14-8-2-10)9-13-5-3-12-4-6-13/h12H,1-9H2
InChIKeyBPYPFQOVLWPGLD-UHFFFAOYSA-N
MW218.34 g/mol
LogP1.13
Rot. Bonds2

About 1-[(4-fluorothian-4-yl)methyl]piperazine

1-[(4-fluorothian-4-yl)methyl]piperazine (PubChem CID 126845750) has the molecular formula C10H19FN2S and a molecular weight of 218.34 g/mol. Its IUPAC name is 1-[(4-fluorothian-4-yl)methyl]piperazine.

Molecular Properties

Compound Name1-[(4-fluorothian-4-yl)methyl]piperazine
PubChem CID126845750
Molecular FormulaC10H19FN2S
Molecular Weight218.34 g/mol
Exact Mass218.13
IUPAC Name1-[(4-fluorothian-4-yl)methyl]piperazine
SMILESFC1(CN2CCNCC2)CCSCC1
InChIInChI=1S/C10H19FN2S/c11-10(1-7-14-8-2-10)9-13-5-3-12-4-6-13/h12H,1-9H2
InChIKeyBPYPFQOVLWPGLD-UHFFFAOYSA-N
XLogP1.13
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 ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorothian-4-yl)methyl]piperazine?
The IUPAC name of 1-[(4-fluorothian-4-yl)methyl]piperazine (CID 126845750) is 1-[(4-fluorothian-4-yl)methyl]piperazine.
What is the SMILES notation for 1-[(4-fluorothian-4-yl)methyl]piperazine?
The canonical SMILES for 1-[(4-fluorothian-4-yl)methyl]piperazine is FC1(CN2CCNCC2)CCSCC1.
What is the InChIKey of 1-[(4-fluorothian-4-yl)methyl]piperazine?
The InChIKey is BPYPFQOVLWPGLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FN2S/c11-10(1-7-14-8-2-10)9-13-5-3-12-4-6-13/h12H,1-9H2.
What are the key properties of 1-[(4-fluorothian-4-yl)methyl]piperazine?
1-[(4-fluorothian-4-yl)methyl]piperazine has a molecular weight of 218.34 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorothian-4-yl)methyl]piperazine is sourced from PubChem (CID 126845750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).