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

C10H19FN2O — CID 126845741

IUPAC1-[(4-fluorooxan-4-yl)methyl]piperazine
SMILESFC1(CN2CCNCC2)CCOCC1
InChIInChI=1S/C10H19FN2O/c11-10(1-7-14-8-2-10)9-13-5-3-12-4-6-13/h12H,1-9H2
InChIKeyGOHPVENHQNTYJV-UHFFFAOYSA-N
MW202.27 g/mol
LogP0.41
Rot. Bonds2

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

1-[(4-fluorooxan-4-yl)methyl]piperazine (PubChem CID 126845741) has the molecular formula C10H19FN2O and a molecular weight of 202.27 g/mol. Its IUPAC name is 1-[(4-fluorooxan-4-yl)methyl]piperazine.

Molecular Properties

Compound Name1-[(4-fluorooxan-4-yl)methyl]piperazine
PubChem CID126845741
Molecular FormulaC10H19FN2O
Molecular Weight202.27 g/mol
Exact Mass202.15
IUPAC Name1-[(4-fluorooxan-4-yl)methyl]piperazine
SMILESFC1(CN2CCNCC2)CCOCC1
InChIInChI=1S/C10H19FN2O/c11-10(1-7-14-8-2-10)9-13-5-3-12-4-6-13/h12H,1-9H2
InChIKeyGOHPVENHQNTYJV-UHFFFAOYSA-N
XLogP0.41
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.27
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorooxan-4-yl)methyl]piperazine?
The IUPAC name of 1-[(4-fluorooxan-4-yl)methyl]piperazine (CID 126845741) is 1-[(4-fluorooxan-4-yl)methyl]piperazine.
What is the SMILES notation for 1-[(4-fluorooxan-4-yl)methyl]piperazine?
The canonical SMILES for 1-[(4-fluorooxan-4-yl)methyl]piperazine is FC1(CN2CCNCC2)CCOCC1.
What is the InChIKey of 1-[(4-fluorooxan-4-yl)methyl]piperazine?
The InChIKey is GOHPVENHQNTYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FN2O/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-fluorooxan-4-yl)methyl]piperazine?
1-[(4-fluorooxan-4-yl)methyl]piperazine has a molecular weight of 202.27 g/mol, XLogP of 0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorooxan-4-yl)methyl]piperazine is sourced from PubChem (CID 126845741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).