(4-methylpiperazin-1-yl)-(4-propylmorpholin-2-yl)methanimine

C13H26N4O — CID 79657808

IUPAC(4-methylpiperazin-1-yl)-(4-propylmorpholin-2-yl)methanimine
SMILES[H]/N=C(/C1CN(CCC)CCO1)N1CCN(C)CC1
InChIInChI=1S/C13H26N4O/c1-3-4-16-9-10-18-12(11-16)13(14)17-7-5-15(2)6-8-17/h12,14H,3-11H2,1-2H3/b14-13-
InChIKeyWSWDUASCUIMJEI-YPKPFQOOSA-N
MW254.38 g/mol
LogP0.32
Rot. Bonds3

About (4-methylpiperazin-1-yl)-(4-propylmorpholin-2-yl)methanimine

(4-methylpiperazin-1-yl)-(4-propylmorpholin-2-yl)methanimine (PubChem CID 79657808) has the molecular formula C13H26N4O and a molecular weight of 254.38 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-(4-propylmorpholin-2-yl)methanimine.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-(4-propylmorpholin-2-yl)methanimine
PubChem CID79657808
Molecular FormulaC13H26N4O
Molecular Weight254.38 g/mol
Exact Mass254.21
IUPAC Name(4-methylpiperazin-1-yl)-(4-propylmorpholin-2-yl)methanimine
SMILES[H]/N=C(/C1CN(CCC)CCO1)N1CCN(C)CC1
InChIInChI=1S/C13H26N4O/c1-3-4-16-9-10-18-12(11-16)13(14)17-7-5-15(2)6-8-17/h12,14H,3-11H2,1-2H3/b14-13-
InChIKeyWSWDUASCUIMJEI-YPKPFQOOSA-N
XLogP0.32
TPSA42.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-(4-propylmorpholin-2-yl)methanimine?
The IUPAC name of (4-methylpiperazin-1-yl)-(4-propylmorpholin-2-yl)methanimine (CID 79657808) is (4-methylpiperazin-1-yl)-(4-propylmorpholin-2-yl)methanimine.
What is the SMILES notation for (4-methylpiperazin-1-yl)-(4-propylmorpholin-2-yl)methanimine?
The canonical SMILES for (4-methylpiperazin-1-yl)-(4-propylmorpholin-2-yl)methanimine is [H]/N=C(/C1CN(CCC)CCO1)N1CCN(C)CC1.
What is the InChIKey of (4-methylpiperazin-1-yl)-(4-propylmorpholin-2-yl)methanimine?
The InChIKey is WSWDUASCUIMJEI-YPKPFQOOSA-N. The full InChI is InChI=1S/C13H26N4O/c1-3-4-16-9-10-18-12(11-16)13(14)17-7-5-15(2)6-8-17/h12,14H,3-11H2,1-2H3/b14-13-.
What are the key properties of (4-methylpiperazin-1-yl)-(4-propylmorpholin-2-yl)methanimine?
(4-methylpiperazin-1-yl)-(4-propylmorpholin-2-yl)methanimine has a molecular weight of 254.38 g/mol, XLogP of 0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-(4-propylmorpholin-2-yl)methanimine is sourced from PubChem (CID 79657808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).