(4-methylpiperazin-1-yl)-(oxan-3-yl)methanimine

C11H21N3O — CID 65333889

IUPAC(4-methylpiperazin-1-yl)-(oxan-3-yl)methanimine
SMILES[H]/N=C(\C1CCCOC1)N1CCN(C)CC1
InChIInChI=1S/C11H21N3O/c1-13-4-6-14(7-5-13)11(12)10-3-2-8-15-9-10/h10,12H,2-9H2,1H3/b12-11+
InChIKeyZYBVDQYGYADDER-VAWYXSNFSA-N
MW211.31 g/mol
LogP0.64
Rot. Bonds1

About (4-methylpiperazin-1-yl)-(oxan-3-yl)methanimine

(4-methylpiperazin-1-yl)-(oxan-3-yl)methanimine (PubChem CID 65333889) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-(oxan-3-yl)methanimine.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-(oxan-3-yl)methanimine
PubChem CID65333889
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name(4-methylpiperazin-1-yl)-(oxan-3-yl)methanimine
SMILES[H]/N=C(\C1CCCOC1)N1CCN(C)CC1
InChIInChI=1S/C11H21N3O/c1-13-4-6-14(7-5-13)11(12)10-3-2-8-15-9-10/h10,12H,2-9H2,1H3/b12-11+
InChIKeyZYBVDQYGYADDER-VAWYXSNFSA-N
XLogP0.64
TPSA39.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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)-(oxan-3-yl)methanimine?
The IUPAC name of (4-methylpiperazin-1-yl)-(oxan-3-yl)methanimine (CID 65333889) is (4-methylpiperazin-1-yl)-(oxan-3-yl)methanimine.
What is the SMILES notation for (4-methylpiperazin-1-yl)-(oxan-3-yl)methanimine?
The canonical SMILES for (4-methylpiperazin-1-yl)-(oxan-3-yl)methanimine is [H]/N=C(\C1CCCOC1)N1CCN(C)CC1.
What is the InChIKey of (4-methylpiperazin-1-yl)-(oxan-3-yl)methanimine?
The InChIKey is ZYBVDQYGYADDER-VAWYXSNFSA-N. The full InChI is InChI=1S/C11H21N3O/c1-13-4-6-14(7-5-13)11(12)10-3-2-8-15-9-10/h10,12H,2-9H2,1H3/b12-11+.
What are the key properties of (4-methylpiperazin-1-yl)-(oxan-3-yl)methanimine?
(4-methylpiperazin-1-yl)-(oxan-3-yl)methanimine has a molecular weight of 211.31 g/mol, XLogP of 0.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-(oxan-3-yl)methanimine is sourced from PubChem (CID 65333889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).