4-methoxy-2-methyl-1-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]butan-2-ol

C16H32N2O2 — CID 103784236

IUPAC4-methoxy-2-methyl-1-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]butan-2-ol
SMILESCOCCC(C)(O)CNC1CCN(CC=C(C)C)CC1
InChIInChI=1S/C16H32N2O2/c1-14(2)5-9-18-10-6-15(7-11-18)17-13-16(3,19)8-12-20-4/h5,15,17,19H,6-13H2,1-4H3
InChIKeyYKIDZNNIUZVKFK-UHFFFAOYSA-N
MW284.44 g/mol
LogP1.79
Rot. Bonds8

About 4-methoxy-2-methyl-1-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]butan-2-ol

4-methoxy-2-methyl-1-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]butan-2-ol (PubChem CID 103784236) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is 4-methoxy-2-methyl-1-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]butan-2-ol.

Molecular Properties

Compound Name4-methoxy-2-methyl-1-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]butan-2-ol
PubChem CID103784236
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Name4-methoxy-2-methyl-1-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]butan-2-ol
SMILESCOCCC(C)(O)CNC1CCN(CC=C(C)C)CC1
InChIInChI=1S/C16H32N2O2/c1-14(2)5-9-18-10-6-15(7-11-18)17-13-16(3,19)8-12-20-4/h5,15,17,19H,6-13H2,1-4H3
InChIKeyYKIDZNNIUZVKFK-UHFFFAOYSA-N
XLogP1.79
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-1-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]butan-2-ol?
The IUPAC name of 4-methoxy-2-methyl-1-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]butan-2-ol (CID 103784236) is 4-methoxy-2-methyl-1-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]butan-2-ol.
What is the SMILES notation for 4-methoxy-2-methyl-1-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]butan-2-ol?
The canonical SMILES for 4-methoxy-2-methyl-1-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]butan-2-ol is COCCC(C)(O)CNC1CCN(CC=C(C)C)CC1.
What is the InChIKey of 4-methoxy-2-methyl-1-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]butan-2-ol?
The InChIKey is YKIDZNNIUZVKFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-14(2)5-9-18-10-6-15(7-11-18)17-13-16(3,19)8-12-20-4/h5,15,17,19H,6-13H2,1-4H3.
What are the key properties of 4-methoxy-2-methyl-1-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]butan-2-ol?
4-methoxy-2-methyl-1-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]butan-2-ol has a molecular weight of 284.44 g/mol, XLogP of 1.79, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methyl-1-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]butan-2-ol is sourced from PubChem (CID 103784236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).