2,3-dimethyl-1-[methyl-(1-methylpiperidin-4-yl)amino]butan-2-ol

C13H28N2O — CID 114447442

IUPAC2,3-dimethyl-1-[methyl-(1-methylpiperidin-4-yl)amino]butan-2-ol
SMILESCC(C)C(C)(O)CN(C)C1CCN(C)CC1
InChIInChI=1S/C13H28N2O/c1-11(2)13(3,16)10-15(5)12-6-8-14(4)9-7-12/h11-12,16H,6-10H2,1-5H3
InChIKeyBJSQDOHZFNFWHQ-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.42
Rot. Bonds4

About 2,3-dimethyl-1-[methyl-(1-methylpiperidin-4-yl)amino]butan-2-ol

2,3-dimethyl-1-[methyl-(1-methylpiperidin-4-yl)amino]butan-2-ol (PubChem CID 114447442) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 2,3-dimethyl-1-[methyl-(1-methylpiperidin-4-yl)amino]butan-2-ol.

Molecular Properties

Compound Name2,3-dimethyl-1-[methyl-(1-methylpiperidin-4-yl)amino]butan-2-ol
PubChem CID114447442
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name2,3-dimethyl-1-[methyl-(1-methylpiperidin-4-yl)amino]butan-2-ol
SMILESCC(C)C(C)(O)CN(C)C1CCN(C)CC1
InChIInChI=1S/C13H28N2O/c1-11(2)13(3,16)10-15(5)12-6-8-14(4)9-7-12/h11-12,16H,6-10H2,1-5H3
InChIKeyBJSQDOHZFNFWHQ-UHFFFAOYSA-N
XLogP1.42
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-[methyl-(1-methylpiperidin-4-yl)amino]butan-2-ol?
The IUPAC name of 2,3-dimethyl-1-[methyl-(1-methylpiperidin-4-yl)amino]butan-2-ol (CID 114447442) is 2,3-dimethyl-1-[methyl-(1-methylpiperidin-4-yl)amino]butan-2-ol.
What is the SMILES notation for 2,3-dimethyl-1-[methyl-(1-methylpiperidin-4-yl)amino]butan-2-ol?
The canonical SMILES for 2,3-dimethyl-1-[methyl-(1-methylpiperidin-4-yl)amino]butan-2-ol is CC(C)C(C)(O)CN(C)C1CCN(C)CC1.
What is the InChIKey of 2,3-dimethyl-1-[methyl-(1-methylpiperidin-4-yl)amino]butan-2-ol?
The InChIKey is BJSQDOHZFNFWHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-11(2)13(3,16)10-15(5)12-6-8-14(4)9-7-12/h11-12,16H,6-10H2,1-5H3.
What are the key properties of 2,3-dimethyl-1-[methyl-(1-methylpiperidin-4-yl)amino]butan-2-ol?
2,3-dimethyl-1-[methyl-(1-methylpiperidin-4-yl)amino]butan-2-ol has a molecular weight of 228.38 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-[methyl-(1-methylpiperidin-4-yl)amino]butan-2-ol is sourced from PubChem (CID 114447442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).