4-[4-(2,5,5-trimethylpiperazin-1-yl)phenyl]morpholine

C17H27N3O — CID 64941183

IUPAC4-[4-(2,5,5-trimethylpiperazin-1-yl)phenyl]morpholine
SMILESCC1CNC(C)(C)CN1c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C17H27N3O/c1-14-12-18-17(2,3)13-20(14)16-6-4-15(5-7-16)19-8-10-21-11-9-19/h4-7,14,18H,8-13H2,1-3H3
InChIKeyNHAGUFAMKTWHQI-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.10
Rot. Bonds2

About 4-[4-(2,5,5-trimethylpiperazin-1-yl)phenyl]morpholine

4-[4-(2,5,5-trimethylpiperazin-1-yl)phenyl]morpholine (PubChem CID 64941183) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 4-[4-(2,5,5-trimethylpiperazin-1-yl)phenyl]morpholine.

Molecular Properties

Compound Name4-[4-(2,5,5-trimethylpiperazin-1-yl)phenyl]morpholine
PubChem CID64941183
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name4-[4-(2,5,5-trimethylpiperazin-1-yl)phenyl]morpholine
SMILESCC1CNC(C)(C)CN1c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C17H27N3O/c1-14-12-18-17(2,3)13-20(14)16-6-4-15(5-7-16)19-8-10-21-11-9-19/h4-7,14,18H,8-13H2,1-3H3
InChIKeyNHAGUFAMKTWHQI-UHFFFAOYSA-N
XLogP2.10
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.10
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-(2,5,5-trimethylpiperazin-1-yl)phenyl]morpholine?
The IUPAC name of 4-[4-(2,5,5-trimethylpiperazin-1-yl)phenyl]morpholine (CID 64941183) is 4-[4-(2,5,5-trimethylpiperazin-1-yl)phenyl]morpholine.
What is the SMILES notation for 4-[4-(2,5,5-trimethylpiperazin-1-yl)phenyl]morpholine?
The canonical SMILES for 4-[4-(2,5,5-trimethylpiperazin-1-yl)phenyl]morpholine is CC1CNC(C)(C)CN1c1ccc(N2CCOCC2)cc1.
What is the InChIKey of 4-[4-(2,5,5-trimethylpiperazin-1-yl)phenyl]morpholine?
The InChIKey is NHAGUFAMKTWHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-14-12-18-17(2,3)13-20(14)16-6-4-15(5-7-16)19-8-10-21-11-9-19/h4-7,14,18H,8-13H2,1-3H3.
What are the key properties of 4-[4-(2,5,5-trimethylpiperazin-1-yl)phenyl]morpholine?
4-[4-(2,5,5-trimethylpiperazin-1-yl)phenyl]morpholine has a molecular weight of 289.42 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,5,5-trimethylpiperazin-1-yl)phenyl]morpholine is sourced from PubChem (CID 64941183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).