1-(3-chloro-5-fluoro-4-pyridinyl)-4-(oxetan-3-yl)piperazine

C12H15ClFN3O — CID 86720931

IUPAC1-(3-chloro-5-fluoro-4-pyridinyl)-4-(oxetan-3-yl)piperazine
SMILESFc1cncc(Cl)c1N1CCN(C2COC2)CC1
InChIInChI=1S/C12H15ClFN3O/c13-10-5-15-6-11(14)12(10)17-3-1-16(2-4-17)9-7-18-8-9/h5-6,9H,1-4,7-8H2
InChIKeyLPNGZIIBHJPTIT-UHFFFAOYSA-N
MW271.72 g/mol
LogP1.39
Rot. Bonds2

About 1-(3-chloro-5-fluoro-4-pyridinyl)-4-(oxetan-3-yl)piperazine

1-(3-chloro-5-fluoro-4-pyridinyl)-4-(oxetan-3-yl)piperazine (PubChem CID 86720931) has the molecular formula C12H15ClFN3O and a molecular weight of 271.72 g/mol. Its IUPAC name is 1-(3-chloro-5-fluoro-4-pyridinyl)-4-(oxetan-3-yl)piperazine.

Molecular Properties

Compound Name1-(3-chloro-5-fluoro-4-pyridinyl)-4-(oxetan-3-yl)piperazine
PubChem CID86720931
Molecular FormulaC12H15ClFN3O
Molecular Weight271.72 g/mol
Exact Mass271.09
IUPAC Name1-(3-chloro-5-fluoro-4-pyridinyl)-4-(oxetan-3-yl)piperazine
SMILESFc1cncc(Cl)c1N1CCN(C2COC2)CC1
InChIInChI=1S/C12H15ClFN3O/c13-10-5-15-6-11(14)12(10)17-3-1-16(2-4-17)9-7-18-8-9/h5-6,9H,1-4,7-8H2
InChIKeyLPNGZIIBHJPTIT-UHFFFAOYSA-N
XLogP1.39
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.72
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-Dichloro-4-piperidin-1-ylpyridine
CID 101493931
3-[4-(3,5-Dichloro-4-pyridinyl)piperazino]-1,1,1-trifluoro-2-propanol
CID 2738581
4-(3,5-Difluoropyridin-4-yl)morpholine
CID 72375455
4-(5-Chloropyridin-3-yl)morpholine
CID 11367634
4-[1-(3-Chloro-4-pyridinyl)piperidin-4-yl]-2-methylmorpholine
CID 84596182
4-[1-(3-Chloro-4-pyridinyl)-4-methylpyrrolidin-3-yl]morpholine
CID 122136149
4-(2,3,5-Trifluoro-4-pyridinyl)morpholine
CID 67770743
1-(3-Chloro-5-fluoro-4-pyridyl)piperazine
CID 86720930
5-Fluoro-4-(4-(oxetan-3-yl)piperazin-1-yl)pyridin-3-amine
CID 86720932
1-(3-Chloro-5-fluoropyridin-4-yl)-4-methylpiperazine
CID 86720933
(S)-1-(3-chloro-5-fluoropyridin-4-yl)-4-(tetrahydrofuran-3-yl)piperazine
CID 86720957
1-(3-Chloro-5-fluoro-4-pyridyl)piperidin-4-ol
CID 86720960

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-fluoro-4-pyridinyl)-4-(oxetan-3-yl)piperazine?
The IUPAC name of 1-(3-chloro-5-fluoro-4-pyridinyl)-4-(oxetan-3-yl)piperazine (CID 86720931) is 1-(3-chloro-5-fluoro-4-pyridinyl)-4-(oxetan-3-yl)piperazine.
What is the SMILES notation for 1-(3-chloro-5-fluoro-4-pyridinyl)-4-(oxetan-3-yl)piperazine?
The canonical SMILES for 1-(3-chloro-5-fluoro-4-pyridinyl)-4-(oxetan-3-yl)piperazine is Fc1cncc(Cl)c1N1CCN(C2COC2)CC1.
What is the InChIKey of 1-(3-chloro-5-fluoro-4-pyridinyl)-4-(oxetan-3-yl)piperazine?
The InChIKey is LPNGZIIBHJPTIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFN3O/c13-10-5-15-6-11(14)12(10)17-3-1-16(2-4-17)9-7-18-8-9/h5-6,9H,1-4,7-8H2.
What are the key properties of 1-(3-chloro-5-fluoro-4-pyridinyl)-4-(oxetan-3-yl)piperazine?
1-(3-chloro-5-fluoro-4-pyridinyl)-4-(oxetan-3-yl)piperazine has a molecular weight of 271.72 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-5-fluoro-4-pyridinyl)-4-(oxetan-3-yl)piperazine is sourced from PubChem (CID 86720931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).