1-[4-(4-fluorophenyl)oxan-4-yl]piperazine

C15H21FN2O — CID 82303771

IUPAC1-[4-(4-fluorophenyl)oxan-4-yl]piperazine
SMILESFc1ccc(C2(N3CCNCC3)CCOCC2)cc1
InChIInChI=1S/C15H21FN2O/c16-14-3-1-13(2-4-14)15(5-11-19-12-6-15)18-9-7-17-8-10-18/h1-4,17H,5-12H2
InChIKeyWZQREEUMZAUBGG-UHFFFAOYSA-N
MW264.34 g/mol
LogP1.74
Rot. Bonds2

About 1-[4-(4-fluorophenyl)oxan-4-yl]piperazine

1-[4-(4-fluorophenyl)oxan-4-yl]piperazine (PubChem CID 82303771) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is 1-[4-(4-fluorophenyl)oxan-4-yl]piperazine.

Molecular Properties

Compound Name1-[4-(4-fluorophenyl)oxan-4-yl]piperazine
PubChem CID82303771
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Name1-[4-(4-fluorophenyl)oxan-4-yl]piperazine
SMILESFc1ccc(C2(N3CCNCC3)CCOCC2)cc1
InChIInChI=1S/C15H21FN2O/c16-14-3-1-13(2-4-14)15(5-11-19-12-6-15)18-9-7-17-8-10-18/h1-4,17H,5-12H2
InChIKeyWZQREEUMZAUBGG-UHFFFAOYSA-N
XLogP1.74
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-phenylcyclopropyl)piperazine;dihydrochloride
CID 53407087
1-[4-(2,3-dimethylphenyl)oxan-4-yl]piperazine
CID 95477520
1-[1-(4-fluorophenyl)cyclopropyl]piperidin-4-ol
CID 167714021
4-azido-4-(4-fluorophenyl)oxane
CID 50989432
1-[[1-(4-fluorophenyl)cyclopropyl]methyl]piperazine
CID 82129251
4-[1-(4-methylphenyl)cyclohexyl]morpholine;hydrochloride
CID 51350060
[4-(4-fluorophenyl)oxan-4-yl]-(3-methylpiperazin-1-yl)methanone
CID 119576546
[1-(4-fluorophenyl)cyclopropyl]-piperazin-1-ylmethanone;hydrochloride
CID 119403724
4-fluoro-4-(4-fluorophenyl)piperidine;hydrochloride
CID 67540826
5-[4-(4-fluorophenyl)oxan-4-yl]-1-methyl-1,2,4-triazole
CID 72881228
8-cyclopentyl-5-methyl-N-[(1S)-1-[4-(4-piperazin-1-yloxan-4-yl)phenyl]ethyl]-7H-pyrido[2,3-d]pyrimidin-2-amine
CID 175778098
5-chloro-4-[4-[1-(4-fluorophenyl)cyclopropyl]piperazin-1-yl]-1H-pyridazin-6-one
CID 138483856

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenyl)oxan-4-yl]piperazine?
The IUPAC name of 1-[4-(4-fluorophenyl)oxan-4-yl]piperazine (CID 82303771) is 1-[4-(4-fluorophenyl)oxan-4-yl]piperazine.
What is the SMILES notation for 1-[4-(4-fluorophenyl)oxan-4-yl]piperazine?
The canonical SMILES for 1-[4-(4-fluorophenyl)oxan-4-yl]piperazine is Fc1ccc(C2(N3CCNCC3)CCOCC2)cc1.
What is the InChIKey of 1-[4-(4-fluorophenyl)oxan-4-yl]piperazine?
The InChIKey is WZQREEUMZAUBGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O/c16-14-3-1-13(2-4-14)15(5-11-19-12-6-15)18-9-7-17-8-10-18/h1-4,17H,5-12H2.
What are the key properties of 1-[4-(4-fluorophenyl)oxan-4-yl]piperazine?
1-[4-(4-fluorophenyl)oxan-4-yl]piperazine has a molecular weight of 264.34 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenyl)oxan-4-yl]piperazine is sourced from PubChem (CID 82303771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).