4-[4-[4-(7-fluoro-2H-indazol-3-yl)piperidin-1-yl]phenyl]morpholine

C22H25FN4O — CID 170426453

IUPAC4-[4-[4-(7-fluoro-2H-indazol-3-yl)piperidin-1-yl]phenyl]morpholine
SMILESFc1cccc2c(C3CCN(c4ccc(N5CCOCC5)cc4)CC3)[nH]nc12
InChIInChI=1S/C22H25FN4O/c23-20-3-1-2-19-21(24-25-22(19)20)16-8-10-26(11-9-16)17-4-6-18(7-5-17)27-12-14-28-15-13-27/h1-7,16H,8-15H2,(H,24,25)
InChIKeySCAJQOQNEPTRJY-UHFFFAOYSA-N
MW380.47 g/mol
LogP3.92
Rot. Bonds3

About 4-[4-[4-(7-fluoro-2H-indazol-3-yl)piperidin-1-yl]phenyl]morpholine

4-[4-[4-(7-fluoro-2H-indazol-3-yl)piperidin-1-yl]phenyl]morpholine (PubChem CID 170426453) has the molecular formula C22H25FN4O and a molecular weight of 380.47 g/mol. Its IUPAC name is 4-[4-[4-(7-fluoro-2H-indazol-3-yl)piperidin-1-yl]phenyl]morpholine.

Molecular Properties

Compound Name4-[4-[4-(7-fluoro-2H-indazol-3-yl)piperidin-1-yl]phenyl]morpholine
PubChem CID170426453
Molecular FormulaC22H25FN4O
Molecular Weight380.47 g/mol
Exact Mass380.20
IUPAC Name4-[4-[4-(7-fluoro-2H-indazol-3-yl)piperidin-1-yl]phenyl]morpholine
SMILESFc1cccc2c(C3CCN(c4ccc(N5CCOCC5)cc4)CC3)[nH]nc12
InChIInChI=1S/C22H25FN4O/c23-20-3-1-2-19-21(24-25-22(19)20)16-8-10-26(11-9-16)17-4-6-18(7-5-17)27-12-14-28-15-13-27/h1-7,16H,8-15H2,(H,24,25)
InChIKeySCAJQOQNEPTRJY-UHFFFAOYSA-N
XLogP3.92
TPSA44.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(7-fluoro-2H-indazol-3-yl)piperidin-1-yl]phenyl]morpholine?
The IUPAC name of 4-[4-[4-(7-fluoro-2H-indazol-3-yl)piperidin-1-yl]phenyl]morpholine (CID 170426453) is 4-[4-[4-(7-fluoro-2H-indazol-3-yl)piperidin-1-yl]phenyl]morpholine.
What is the SMILES notation for 4-[4-[4-(7-fluoro-2H-indazol-3-yl)piperidin-1-yl]phenyl]morpholine?
The canonical SMILES for 4-[4-[4-(7-fluoro-2H-indazol-3-yl)piperidin-1-yl]phenyl]morpholine is Fc1cccc2c(C3CCN(c4ccc(N5CCOCC5)cc4)CC3)[nH]nc12.
What is the InChIKey of 4-[4-[4-(7-fluoro-2H-indazol-3-yl)piperidin-1-yl]phenyl]morpholine?
The InChIKey is SCAJQOQNEPTRJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O/c23-20-3-1-2-19-21(24-25-22(19)20)16-8-10-26(11-9-16)17-4-6-18(7-5-17)27-12-14-28-15-13-27/h1-7,16H,8-15H2,(H,24,25).
What are the key properties of 4-[4-[4-(7-fluoro-2H-indazol-3-yl)piperidin-1-yl]phenyl]morpholine?
4-[4-[4-(7-fluoro-2H-indazol-3-yl)piperidin-1-yl]phenyl]morpholine has a molecular weight of 380.47 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(7-fluoro-2H-indazol-3-yl)piperidin-1-yl]phenyl]morpholine is sourced from PubChem (CID 170426453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).