(4-methylpiperazin-1-yl)-(1,4-oxathian-2-yl)methanimine

C10H19N3OS — CID 79969987

IUPAC(4-methylpiperazin-1-yl)-(1,4-oxathian-2-yl)methanimine
SMILES[H]/N=C(\C1CSCCO1)N1CCN(C)CC1
InChIInChI=1S/C10H19N3OS/c1-12-2-4-13(5-3-12)10(11)9-8-15-7-6-14-9/h9,11H,2-8H2,1H3/b11-10+
InChIKeyHLISPYXAERRGMH-ZHACJKMWSA-N
MW229.35 g/mol
LogP0.34
Rot. Bonds1

About (4-methylpiperazin-1-yl)-(1,4-oxathian-2-yl)methanimine

(4-methylpiperazin-1-yl)-(1,4-oxathian-2-yl)methanimine (PubChem CID 79969987) has the molecular formula C10H19N3OS and a molecular weight of 229.35 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-(1,4-oxathian-2-yl)methanimine.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-(1,4-oxathian-2-yl)methanimine
PubChem CID79969987
Molecular FormulaC10H19N3OS
Molecular Weight229.35 g/mol
Exact Mass229.12
IUPAC Name(4-methylpiperazin-1-yl)-(1,4-oxathian-2-yl)methanimine
SMILES[H]/N=C(\C1CSCCO1)N1CCN(C)CC1
InChIInChI=1S/C10H19N3OS/c1-12-2-4-13(5-3-12)10(11)9-8-15-7-6-14-9/h9,11H,2-8H2,1H3/b11-10+
InChIKeyHLISPYXAERRGMH-ZHACJKMWSA-N
XLogP0.34
TPSA39.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 50.34
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)-(1,4-oxathian-2-yl)methanimine?
The IUPAC name of (4-methylpiperazin-1-yl)-(1,4-oxathian-2-yl)methanimine (CID 79969987) is (4-methylpiperazin-1-yl)-(1,4-oxathian-2-yl)methanimine.
What is the SMILES notation for (4-methylpiperazin-1-yl)-(1,4-oxathian-2-yl)methanimine?
The canonical SMILES for (4-methylpiperazin-1-yl)-(1,4-oxathian-2-yl)methanimine is [H]/N=C(\C1CSCCO1)N1CCN(C)CC1.
What is the InChIKey of (4-methylpiperazin-1-yl)-(1,4-oxathian-2-yl)methanimine?
The InChIKey is HLISPYXAERRGMH-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H19N3OS/c1-12-2-4-13(5-3-12)10(11)9-8-15-7-6-14-9/h9,11H,2-8H2,1H3/b11-10+.
What are the key properties of (4-methylpiperazin-1-yl)-(1,4-oxathian-2-yl)methanimine?
(4-methylpiperazin-1-yl)-(1,4-oxathian-2-yl)methanimine has a molecular weight of 229.35 g/mol, XLogP of 0.34, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-(1,4-oxathian-2-yl)methanimine is sourced from PubChem (CID 79969987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).