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

C15H30N2O — CID 65107783

IUPAC2-methyl-1-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]butan-2-ol
SMILESCCC(C)(O)CNC1CCN(CC=C(C)C)CC1
InChIInChI=1S/C15H30N2O/c1-5-15(4,18)12-16-14-7-10-17(11-8-14)9-6-13(2)3/h6,14,16,18H,5,7-12H2,1-4H3
InChIKeyQNCXAJFPANARNX-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.17
Rot. Bonds6

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

2-methyl-1-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]butan-2-ol (PubChem CID 65107783) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 2-methyl-1-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]butan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]butan-2-ol
PubChem CID65107783
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name2-methyl-1-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]butan-2-ol
SMILESCCC(C)(O)CNC1CCN(CC=C(C)C)CC1
InChIInChI=1S/C15H30N2O/c1-5-15(4,18)12-16-14-7-10-17(11-8-14)9-6-13(2)3/h6,14,16,18H,5,7-12H2,1-4H3
InChIKeyQNCXAJFPANARNX-UHFFFAOYSA-N
XLogP2.17
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 2-methyl-1-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]butan-2-ol?
The IUPAC name of 2-methyl-1-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]butan-2-ol (CID 65107783) is 2-methyl-1-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]butan-2-ol.
What is the SMILES notation for 2-methyl-1-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]butan-2-ol?
The canonical SMILES for 2-methyl-1-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]butan-2-ol is CCC(C)(O)CNC1CCN(CC=C(C)C)CC1.
What is the InChIKey of 2-methyl-1-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]butan-2-ol?
The InChIKey is QNCXAJFPANARNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-5-15(4,18)12-16-14-7-10-17(11-8-14)9-6-13(2)3/h6,14,16,18H,5,7-12H2,1-4H3.
What are the key properties of 2-methyl-1-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]butan-2-ol?
2-methyl-1-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]butan-2-ol has a molecular weight of 254.42 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]butan-2-ol is sourced from PubChem (CID 65107783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).