4-[4-[(3-indazol-1-ylpiperidin-1-yl)methyl]phenyl]morpholine

C23H28N4O — CID 123895819

IUPAC4-[4-[(3-indazol-1-ylpiperidin-1-yl)methyl]phenyl]morpholine
SMILESc1ccc2c(c1)cnn2C1CCCN(Cc2ccc(N3CCOCC3)cc2)C1
InChIInChI=1S/C23H28N4O/c1-2-6-23-20(4-1)16-24-27(23)22-5-3-11-25(18-22)17-19-7-9-21(10-8-19)26-12-14-28-15-13-26/h1-2,4,6-10,16,22H,3,5,11-15,17-18H2
InChIKeyYEVFEZCRNJKBAS-UHFFFAOYSA-N
MW376.50 g/mol
LogP3.71
Rot. Bonds4

About 4-[4-[(3-indazol-1-ylpiperidin-1-yl)methyl]phenyl]morpholine

4-[4-[(3-indazol-1-ylpiperidin-1-yl)methyl]phenyl]morpholine (PubChem CID 123895819) has the molecular formula C23H28N4O and a molecular weight of 376.50 g/mol. Its IUPAC name is 4-[4-[(3-indazol-1-ylpiperidin-1-yl)methyl]phenyl]morpholine.

Molecular Properties

Compound Name4-[4-[(3-indazol-1-ylpiperidin-1-yl)methyl]phenyl]morpholine
PubChem CID123895819
Molecular FormulaC23H28N4O
Molecular Weight376.50 g/mol
Exact Mass376.23
IUPAC Name4-[4-[(3-indazol-1-ylpiperidin-1-yl)methyl]phenyl]morpholine
SMILESc1ccc2c(c1)cnn2C1CCCN(Cc2ccc(N3CCOCC3)cc2)C1
InChIInChI=1S/C23H28N4O/c1-2-6-23-20(4-1)16-24-27(23)22-5-3-11-25(18-22)17-19-7-9-21(10-8-19)26-12-14-28-15-13-26/h1-2,4,6-10,16,22H,3,5,11-15,17-18H2
InChIKeyYEVFEZCRNJKBAS-UHFFFAOYSA-N
XLogP3.71
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(3-indazol-1-ylpiperidin-1-yl)methyl]phenyl]morpholine?
The IUPAC name of 4-[4-[(3-indazol-1-ylpiperidin-1-yl)methyl]phenyl]morpholine (CID 123895819) is 4-[4-[(3-indazol-1-ylpiperidin-1-yl)methyl]phenyl]morpholine.
What is the SMILES notation for 4-[4-[(3-indazol-1-ylpiperidin-1-yl)methyl]phenyl]morpholine?
The canonical SMILES for 4-[4-[(3-indazol-1-ylpiperidin-1-yl)methyl]phenyl]morpholine is c1ccc2c(c1)cnn2C1CCCN(Cc2ccc(N3CCOCC3)cc2)C1.
What is the InChIKey of 4-[4-[(3-indazol-1-ylpiperidin-1-yl)methyl]phenyl]morpholine?
The InChIKey is YEVFEZCRNJKBAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O/c1-2-6-23-20(4-1)16-24-27(23)22-5-3-11-25(18-22)17-19-7-9-21(10-8-19)26-12-14-28-15-13-26/h1-2,4,6-10,16,22H,3,5,11-15,17-18H2.
What are the key properties of 4-[4-[(3-indazol-1-ylpiperidin-1-yl)methyl]phenyl]morpholine?
4-[4-[(3-indazol-1-ylpiperidin-1-yl)methyl]phenyl]morpholine has a molecular weight of 376.50 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(3-indazol-1-ylpiperidin-1-yl)methyl]phenyl]morpholine is sourced from PubChem (CID 123895819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).