2-(methylamino)-1-[(1-methylpiperidin-4-yl)methoxy]propan-1-ol

C11H24N2O2 — CID 90813946

IUPAC2-(methylamino)-1-[(1-methylpiperidin-4-yl)methoxy]propan-1-ol
SMILESCNC(C)C(O)OCC1CCN(C)CC1
InChIInChI=1S/C11H24N2O2/c1-9(12-2)11(14)15-8-10-4-6-13(3)7-5-10/h9-12,14H,4-8H2,1-3H3
InChIKeyFZHJNBGHUDYTBD-UHFFFAOYSA-N
MW216.32 g/mol
LogP0.27
Rot. Bonds5

About 2-(methylamino)-1-[(1-methylpiperidin-4-yl)methoxy]propan-1-ol

2-(methylamino)-1-[(1-methylpiperidin-4-yl)methoxy]propan-1-ol (PubChem CID 90813946) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is 2-(methylamino)-1-[(1-methylpiperidin-4-yl)methoxy]propan-1-ol.

Molecular Properties

Compound Name2-(methylamino)-1-[(1-methylpiperidin-4-yl)methoxy]propan-1-ol
PubChem CID90813946
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Name2-(methylamino)-1-[(1-methylpiperidin-4-yl)methoxy]propan-1-ol
SMILESCNC(C)C(O)OCC1CCN(C)CC1
InChIInChI=1S/C11H24N2O2/c1-9(12-2)11(14)15-8-10-4-6-13(3)7-5-10/h9-12,14H,4-8H2,1-3H3
InChIKeyFZHJNBGHUDYTBD-UHFFFAOYSA-N
XLogP0.27
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-1-[(1-methylpiperidin-4-yl)methoxy]propan-1-ol?
The IUPAC name of 2-(methylamino)-1-[(1-methylpiperidin-4-yl)methoxy]propan-1-ol (CID 90813946) is 2-(methylamino)-1-[(1-methylpiperidin-4-yl)methoxy]propan-1-ol.
What is the SMILES notation for 2-(methylamino)-1-[(1-methylpiperidin-4-yl)methoxy]propan-1-ol?
The canonical SMILES for 2-(methylamino)-1-[(1-methylpiperidin-4-yl)methoxy]propan-1-ol is CNC(C)C(O)OCC1CCN(C)CC1.
What is the InChIKey of 2-(methylamino)-1-[(1-methylpiperidin-4-yl)methoxy]propan-1-ol?
The InChIKey is FZHJNBGHUDYTBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-9(12-2)11(14)15-8-10-4-6-13(3)7-5-10/h9-12,14H,4-8H2,1-3H3.
What are the key properties of 2-(methylamino)-1-[(1-methylpiperidin-4-yl)methoxy]propan-1-ol?
2-(methylamino)-1-[(1-methylpiperidin-4-yl)methoxy]propan-1-ol has a molecular weight of 216.32 g/mol, XLogP of 0.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-1-[(1-methylpiperidin-4-yl)methoxy]propan-1-ol is sourced from PubChem (CID 90813946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).