1-(3-chloro-5-fluoro-4-pyridinyl)-4-[(3S)-oxolan-3-yl]piperazine

C13H17ClFN3O — CID 86720957

IUPAC1-(3-chloro-5-fluoro-4-pyridinyl)-4-[(3S)-oxolan-3-yl]piperazine
SMILESFc1cncc(Cl)c1N1CCN([C@H]2CCOC2)CC1
InChIInChI=1S/C13H17ClFN3O/c14-11-7-16-8-12(15)13(11)18-4-2-17(3-5-18)10-1-6-19-9-10/h7-8,10H,1-6,9H2/t10-/m0/s1
InChIKeyAXKVSHQALOUMFF-JTQLQIEISA-N
MW285.75 g/mol
LogP1.78
Rot. Bonds2

About 1-(3-chloro-5-fluoro-4-pyridinyl)-4-[(3S)-oxolan-3-yl]piperazine

1-(3-chloro-5-fluoro-4-pyridinyl)-4-[(3S)-oxolan-3-yl]piperazine (PubChem CID 86720957) has the molecular formula C13H17ClFN3O and a molecular weight of 285.75 g/mol. Its IUPAC name is 1-(3-chloro-5-fluoro-4-pyridinyl)-4-[(3S)-oxolan-3-yl]piperazine.

Molecular Properties

Compound Name1-(3-chloro-5-fluoro-4-pyridinyl)-4-[(3S)-oxolan-3-yl]piperazine
PubChem CID86720957
Molecular FormulaC13H17ClFN3O
Molecular Weight285.75 g/mol
Exact Mass285.10
IUPAC Name1-(3-chloro-5-fluoro-4-pyridinyl)-4-[(3S)-oxolan-3-yl]piperazine
SMILESFc1cncc(Cl)c1N1CCN([C@H]2CCOC2)CC1
InChIInChI=1S/C13H17ClFN3O/c14-11-7-16-8-12(15)13(11)18-4-2-17(3-5-18)10-1-6-19-9-10/h7-8,10H,1-6,9H2/t10-/m0/s1
InChIKeyAXKVSHQALOUMFF-JTQLQIEISA-N
XLogP1.78
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.75
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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
3-chloro-N-(3-morpholinopropyl)pyridin-4-amine
CID 79839380
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)-4-(oxetan-3-yl)piperazine
CID 86720931
1-(3-Chloro-5-fluoropyridin-4-yl)-4-methylpiperazine
CID 86720933
1-(3-Chloro-5-fluoro-4-pyridyl)piperidin-4-ol
CID 86720960
1-(3-Chloro-5-fluoro-4-pyridinyl)-4-(oxolan-3-yl)piperazine
CID 90199333
5-fluoro-4-[4-[(3S)-oxolan-3-yl]piperazin-1-yl]pyridin-3-amine
CID 90199824

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-fluoro-4-pyridinyl)-4-[(3S)-oxolan-3-yl]piperazine?
The IUPAC name of 1-(3-chloro-5-fluoro-4-pyridinyl)-4-[(3S)-oxolan-3-yl]piperazine (CID 86720957) is 1-(3-chloro-5-fluoro-4-pyridinyl)-4-[(3S)-oxolan-3-yl]piperazine.
What is the SMILES notation for 1-(3-chloro-5-fluoro-4-pyridinyl)-4-[(3S)-oxolan-3-yl]piperazine?
The canonical SMILES for 1-(3-chloro-5-fluoro-4-pyridinyl)-4-[(3S)-oxolan-3-yl]piperazine is Fc1cncc(Cl)c1N1CCN([C@H]2CCOC2)CC1.
What is the InChIKey of 1-(3-chloro-5-fluoro-4-pyridinyl)-4-[(3S)-oxolan-3-yl]piperazine?
The InChIKey is AXKVSHQALOUMFF-JTQLQIEISA-N. The full InChI is InChI=1S/C13H17ClFN3O/c14-11-7-16-8-12(15)13(11)18-4-2-17(3-5-18)10-1-6-19-9-10/h7-8,10H,1-6,9H2/t10-/m0/s1.
What are the key properties of 1-(3-chloro-5-fluoro-4-pyridinyl)-4-[(3S)-oxolan-3-yl]piperazine?
1-(3-chloro-5-fluoro-4-pyridinyl)-4-[(3S)-oxolan-3-yl]piperazine has a molecular weight of 285.75 g/mol, XLogP of 1.78, 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-[(3S)-oxolan-3-yl]piperazine is sourced from PubChem (CID 86720957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).