4-[[1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidin-3-yl]methyl]morpholine

C18H30N4O — CID 45234091

IUPAC4-[[1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidin-3-yl]methyl]morpholine
SMILESC1CCc2c(CN3CCCC(CN4CCOCC4)C3)n[nH]c2C1
InChIInChI=1S/C18H30N4O/c1-2-6-17-16(5-1)18(20-19-17)14-22-7-3-4-15(13-22)12-21-8-10-23-11-9-21/h15H,1-14H2,(H,19,20)
InChIKeyPEIZUYCAYPMSAD-UHFFFAOYSA-N
MW318.47 g/mol
LogP1.83
Rot. Bonds4

About 4-[[1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidin-3-yl]methyl]morpholine

4-[[1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidin-3-yl]methyl]morpholine (PubChem CID 45234091) has the molecular formula C18H30N4O and a molecular weight of 318.47 g/mol. Its IUPAC name is 4-[[1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidin-3-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidin-3-yl]methyl]morpholine
PubChem CID45234091
Molecular FormulaC18H30N4O
Molecular Weight318.47 g/mol
Exact Mass318.24
IUPAC Name4-[[1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidin-3-yl]methyl]morpholine
SMILESC1CCc2c(CN3CCCC(CN4CCOCC4)C3)n[nH]c2C1
InChIInChI=1S/C18H30N4O/c1-2-6-17-16(5-1)18(20-19-17)14-22-7-3-4-15(13-22)12-21-8-10-23-11-9-21/h15H,1-14H2,(H,19,20)
InChIKeyPEIZUYCAYPMSAD-UHFFFAOYSA-N
XLogP1.83
TPSA44.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.47
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidin-3-yl]methyl]morpholine?
The IUPAC name of 4-[[1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidin-3-yl]methyl]morpholine (CID 45234091) is 4-[[1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidin-3-yl]methyl]morpholine.
What is the SMILES notation for 4-[[1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidin-3-yl]methyl]morpholine?
The canonical SMILES for 4-[[1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidin-3-yl]methyl]morpholine is C1CCc2c(CN3CCCC(CN4CCOCC4)C3)n[nH]c2C1.
What is the InChIKey of 4-[[1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidin-3-yl]methyl]morpholine?
The InChIKey is PEIZUYCAYPMSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O/c1-2-6-17-16(5-1)18(20-19-17)14-22-7-3-4-15(13-22)12-21-8-10-23-11-9-21/h15H,1-14H2,(H,19,20).
What are the key properties of 4-[[1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidin-3-yl]methyl]morpholine?
4-[[1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidin-3-yl]methyl]morpholine has a molecular weight of 318.47 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidin-3-yl]methyl]morpholine is sourced from PubChem (CID 45234091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).