4-(2,3-dimethylpiperidin-1-yl)-2-ethoxybutan-1-amine

C13H28N2O — CID 63069725

IUPAC4-(2,3-dimethylpiperidin-1-yl)-2-ethoxybutan-1-amine
SMILESCCOC(CN)CCN1CCCC(C)C1C
InChIInChI=1S/C13H28N2O/c1-4-16-13(10-14)7-9-15-8-5-6-11(2)12(15)3/h11-13H,4-10,14H2,1-3H3
InChIKeyZYQZCNHZTSJQFV-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.86
Rot. Bonds6

About 4-(2,3-dimethylpiperidin-1-yl)-2-ethoxybutan-1-amine

4-(2,3-dimethylpiperidin-1-yl)-2-ethoxybutan-1-amine (PubChem CID 63069725) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 4-(2,3-dimethylpiperidin-1-yl)-2-ethoxybutan-1-amine.

Molecular Properties

Compound Name4-(2,3-dimethylpiperidin-1-yl)-2-ethoxybutan-1-amine
PubChem CID63069725
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name4-(2,3-dimethylpiperidin-1-yl)-2-ethoxybutan-1-amine
SMILESCCOC(CN)CCN1CCCC(C)C1C
InChIInChI=1S/C13H28N2O/c1-4-16-13(10-14)7-9-15-8-5-6-11(2)12(15)3/h11-13H,4-10,14H2,1-3H3
InChIKeyZYQZCNHZTSJQFV-UHFFFAOYSA-N
XLogP1.86
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethylpiperidin-1-yl)-2-ethoxybutan-1-amine?
The IUPAC name of 4-(2,3-dimethylpiperidin-1-yl)-2-ethoxybutan-1-amine (CID 63069725) is 4-(2,3-dimethylpiperidin-1-yl)-2-ethoxybutan-1-amine.
What is the SMILES notation for 4-(2,3-dimethylpiperidin-1-yl)-2-ethoxybutan-1-amine?
The canonical SMILES for 4-(2,3-dimethylpiperidin-1-yl)-2-ethoxybutan-1-amine is CCOC(CN)CCN1CCCC(C)C1C.
What is the InChIKey of 4-(2,3-dimethylpiperidin-1-yl)-2-ethoxybutan-1-amine?
The InChIKey is ZYQZCNHZTSJQFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-4-16-13(10-14)7-9-15-8-5-6-11(2)12(15)3/h11-13H,4-10,14H2,1-3H3.
What are the key properties of 4-(2,3-dimethylpiperidin-1-yl)-2-ethoxybutan-1-amine?
4-(2,3-dimethylpiperidin-1-yl)-2-ethoxybutan-1-amine has a molecular weight of 228.38 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethylpiperidin-1-yl)-2-ethoxybutan-1-amine is sourced from PubChem (CID 63069725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).