1-(methylamino)-2-(methylaminomethyl)-3-[[1-methyl-2-(methylaminomethyl)-6-(trifluoromethyl)piperidin-3-yl]methoxy]propan-1-ol

C16H33F3N4O2 — CID 71201763

IUPAC1-(methylamino)-2-(methylaminomethyl)-3-[[1-methyl-2-(methylaminomethyl)-6-(trifluoromethyl)piperidin-3-yl]methoxy]propan-1-ol
SMILESCNCC(COCC1CCC(C(F)(F)F)N(C)C1CNC)C(O)NC
InChIInChI=1S/C16H33F3N4O2/c1-20-7-12(15(24)22-3)10-25-9-11-5-6-14(16(17,18)19)23(4)13(11)8-21-2/h11-15,20-22,24H,5-10H2,1-4H3
InChIKeyTTZGKWDJJKELBS-UHFFFAOYSA-N
MW370.46 g/mol
LogP0.24
Rot. Bonds10

About 1-(methylamino)-2-(methylaminomethyl)-3-[[1-methyl-2-(methylaminomethyl)-6-(trifluoromethyl)piperidin-3-yl]methoxy]propan-1-ol

1-(methylamino)-2-(methylaminomethyl)-3-[[1-methyl-2-(methylaminomethyl)-6-(trifluoromethyl)piperidin-3-yl]methoxy]propan-1-ol (PubChem CID 71201763) has the molecular formula C16H33F3N4O2 and a molecular weight of 370.46 g/mol. Its IUPAC name is 1-(methylamino)-2-(methylaminomethyl)-3-[[1-methyl-2-(methylaminomethyl)-6-(trifluoromethyl)piperidin-3-yl]methoxy]propan-1-ol.

Molecular Properties

Compound Name1-(methylamino)-2-(methylaminomethyl)-3-[[1-methyl-2-(methylaminomethyl)-6-(trifluoromethyl)piperidin-3-yl]methoxy]propan-1-ol
PubChem CID71201763
Molecular FormulaC16H33F3N4O2
Molecular Weight370.46 g/mol
Exact Mass370.26
IUPAC Name1-(methylamino)-2-(methylaminomethyl)-3-[[1-methyl-2-(methylaminomethyl)-6-(trifluoromethyl)piperidin-3-yl]methoxy]propan-1-ol
SMILESCNCC(COCC1CCC(C(F)(F)F)N(C)C1CNC)C(O)NC
InChIInChI=1S/C16H33F3N4O2/c1-20-7-12(15(24)22-3)10-25-9-11-5-6-14(16(17,18)19)23(4)13(11)8-21-2/h11-15,20-22,24H,5-10H2,1-4H3
InChIKeyTTZGKWDJJKELBS-UHFFFAOYSA-N
XLogP0.24
TPSA68.79 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 50.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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 1-(methylamino)-2-(methylaminomethyl)-3-[[1-methyl-2-(methylaminomethyl)-6-(trifluoromethyl)piperidin-3-yl]methoxy]propan-1-ol?
The IUPAC name of 1-(methylamino)-2-(methylaminomethyl)-3-[[1-methyl-2-(methylaminomethyl)-6-(trifluoromethyl)piperidin-3-yl]methoxy]propan-1-ol (CID 71201763) is 1-(methylamino)-2-(methylaminomethyl)-3-[[1-methyl-2-(methylaminomethyl)-6-(trifluoromethyl)piperidin-3-yl]methoxy]propan-1-ol.
What is the SMILES notation for 1-(methylamino)-2-(methylaminomethyl)-3-[[1-methyl-2-(methylaminomethyl)-6-(trifluoromethyl)piperidin-3-yl]methoxy]propan-1-ol?
The canonical SMILES for 1-(methylamino)-2-(methylaminomethyl)-3-[[1-methyl-2-(methylaminomethyl)-6-(trifluoromethyl)piperidin-3-yl]methoxy]propan-1-ol is CNCC(COCC1CCC(C(F)(F)F)N(C)C1CNC)C(O)NC.
What is the InChIKey of 1-(methylamino)-2-(methylaminomethyl)-3-[[1-methyl-2-(methylaminomethyl)-6-(trifluoromethyl)piperidin-3-yl]methoxy]propan-1-ol?
The InChIKey is TTZGKWDJJKELBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33F3N4O2/c1-20-7-12(15(24)22-3)10-25-9-11-5-6-14(16(17,18)19)23(4)13(11)8-21-2/h11-15,20-22,24H,5-10H2,1-4H3.
What are the key properties of 1-(methylamino)-2-(methylaminomethyl)-3-[[1-methyl-2-(methylaminomethyl)-6-(trifluoromethyl)piperidin-3-yl]methoxy]propan-1-ol?
1-(methylamino)-2-(methylaminomethyl)-3-[[1-methyl-2-(methylaminomethyl)-6-(trifluoromethyl)piperidin-3-yl]methoxy]propan-1-ol has a molecular weight of 370.46 g/mol, XLogP of 0.24, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)-2-(methylaminomethyl)-3-[[1-methyl-2-(methylaminomethyl)-6-(trifluoromethyl)piperidin-3-yl]methoxy]propan-1-ol is sourced from PubChem (CID 71201763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).