1-[(3-fluorothiolan-3-yl)methyl]piperazine

C9H17FN2S — CID 126845935

IUPAC1-[(3-fluorothiolan-3-yl)methyl]piperazine
SMILESFC1(CN2CCNCC2)CCSC1
InChIInChI=1S/C9H17FN2S/c10-9(1-6-13-8-9)7-12-4-2-11-3-5-12/h11H,1-8H2
InChIKeyWSBOTACCTLMUMV-UHFFFAOYSA-N
MW204.31 g/mol
LogP0.74
Rot. Bonds2

About 1-[(3-fluorothiolan-3-yl)methyl]piperazine

1-[(3-fluorothiolan-3-yl)methyl]piperazine (PubChem CID 126845935) has the molecular formula C9H17FN2S and a molecular weight of 204.31 g/mol. Its IUPAC name is 1-[(3-fluorothiolan-3-yl)methyl]piperazine.

Molecular Properties

Compound Name1-[(3-fluorothiolan-3-yl)methyl]piperazine
PubChem CID126845935
Molecular FormulaC9H17FN2S
Molecular Weight204.31 g/mol
Exact Mass204.11
IUPAC Name1-[(3-fluorothiolan-3-yl)methyl]piperazine
SMILESFC1(CN2CCNCC2)CCSC1
InChIInChI=1S/C9H17FN2S/c10-9(1-6-13-8-9)7-12-4-2-11-3-5-12/h11H,1-8H2
InChIKeyWSBOTACCTLMUMV-UHFFFAOYSA-N
XLogP0.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorothiolan-3-yl)methyl]piperazine?
The IUPAC name of 1-[(3-fluorothiolan-3-yl)methyl]piperazine (CID 126845935) is 1-[(3-fluorothiolan-3-yl)methyl]piperazine.
What is the SMILES notation for 1-[(3-fluorothiolan-3-yl)methyl]piperazine?
The canonical SMILES for 1-[(3-fluorothiolan-3-yl)methyl]piperazine is FC1(CN2CCNCC2)CCSC1.
What is the InChIKey of 1-[(3-fluorothiolan-3-yl)methyl]piperazine?
The InChIKey is WSBOTACCTLMUMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FN2S/c10-9(1-6-13-8-9)7-12-4-2-11-3-5-12/h11H,1-8H2.
What are the key properties of 1-[(3-fluorothiolan-3-yl)methyl]piperazine?
1-[(3-fluorothiolan-3-yl)methyl]piperazine has a molecular weight of 204.31 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorothiolan-3-yl)methyl]piperazine is sourced from PubChem (CID 126845935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).