1-[2-fluoro-4-(oxan-4-ylsulfonyl)phenyl]piperazine

C15H21FN2O3S — CID 69291984

IUPAC1-[2-fluoro-4-(oxan-4-ylsulfonyl)phenyl]piperazine
SMILESO=S(=O)(c1ccc(N2CCNCC2)c(F)c1)C1CCOCC1
InChIInChI=1S/C15H21FN2O3S/c16-14-11-13(22(19,20)12-3-9-21-10-4-12)1-2-15(14)18-7-5-17-6-8-18/h1-2,11-12,17H,3-10H2
InChIKeyMZRXNKMIBWHGBA-UHFFFAOYSA-N
MW328.41 g/mol
LogP1.19
Rot. Bonds3

About 1-[2-fluoro-4-(oxan-4-ylsulfonyl)phenyl]piperazine

1-[2-fluoro-4-(oxan-4-ylsulfonyl)phenyl]piperazine (PubChem CID 69291984) has the molecular formula C15H21FN2O3S and a molecular weight of 328.41 g/mol. Its IUPAC name is 1-[2-fluoro-4-(oxan-4-ylsulfonyl)phenyl]piperazine.

Molecular Properties

Compound Name1-[2-fluoro-4-(oxan-4-ylsulfonyl)phenyl]piperazine
PubChem CID69291984
Molecular FormulaC15H21FN2O3S
Molecular Weight328.41 g/mol
Exact Mass328.13
IUPAC Name1-[2-fluoro-4-(oxan-4-ylsulfonyl)phenyl]piperazine
SMILESO=S(=O)(c1ccc(N2CCNCC2)c(F)c1)C1CCOCC1
InChIInChI=1S/C15H21FN2O3S/c16-14-11-13(22(19,20)12-3-9-21-10-4-12)1-2-15(14)18-7-5-17-6-8-18/h1-2,11-12,17H,3-10H2
InChIKeyMZRXNKMIBWHGBA-UHFFFAOYSA-N
XLogP1.19
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-4-(oxan-4-ylsulfonyl)phenyl]piperazine?
The IUPAC name of 1-[2-fluoro-4-(oxan-4-ylsulfonyl)phenyl]piperazine (CID 69291984) is 1-[2-fluoro-4-(oxan-4-ylsulfonyl)phenyl]piperazine.
What is the SMILES notation for 1-[2-fluoro-4-(oxan-4-ylsulfonyl)phenyl]piperazine?
The canonical SMILES for 1-[2-fluoro-4-(oxan-4-ylsulfonyl)phenyl]piperazine is O=S(=O)(c1ccc(N2CCNCC2)c(F)c1)C1CCOCC1.
What is the InChIKey of 1-[2-fluoro-4-(oxan-4-ylsulfonyl)phenyl]piperazine?
The InChIKey is MZRXNKMIBWHGBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O3S/c16-14-11-13(22(19,20)12-3-9-21-10-4-12)1-2-15(14)18-7-5-17-6-8-18/h1-2,11-12,17H,3-10H2.
What are the key properties of 1-[2-fluoro-4-(oxan-4-ylsulfonyl)phenyl]piperazine?
1-[2-fluoro-4-(oxan-4-ylsulfonyl)phenyl]piperazine has a molecular weight of 328.41 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-4-(oxan-4-ylsulfonyl)phenyl]piperazine is sourced from PubChem (CID 69291984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).