3-ethoxy-1-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-2,2-dimethylcyclobutan-1-amine

C16H32N2O2 — CID 102963538

IUPAC3-ethoxy-1-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-2,2-dimethylcyclobutan-1-amine
SMILESCCOC1CC(N)(CN2CCC(C)C(OC)C2)C1(C)C
InChIInChI=1S/C16H32N2O2/c1-6-20-14-9-16(17,15(14,3)4)11-18-8-7-12(2)13(10-18)19-5/h12-14H,6-11,17H2,1-5H3
InChIKeyYQIAKROEOMGUMX-UHFFFAOYSA-N
MW284.44 g/mol
LogP1.88
Rot. Bonds5

About 3-ethoxy-1-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-2,2-dimethylcyclobutan-1-amine

3-ethoxy-1-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-2,2-dimethylcyclobutan-1-amine (PubChem CID 102963538) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is 3-ethoxy-1-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-2,2-dimethylcyclobutan-1-amine.

Molecular Properties

Compound Name3-ethoxy-1-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-2,2-dimethylcyclobutan-1-amine
PubChem CID102963538
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Name3-ethoxy-1-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-2,2-dimethylcyclobutan-1-amine
SMILESCCOC1CC(N)(CN2CCC(C)C(OC)C2)C1(C)C
InChIInChI=1S/C16H32N2O2/c1-6-20-14-9-16(17,15(14,3)4)11-18-8-7-12(2)13(10-18)19-5/h12-14H,6-11,17H2,1-5H3
InChIKeyYQIAKROEOMGUMX-UHFFFAOYSA-N
XLogP1.88
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-2,2-dimethylcyclobutan-1-amine?
The IUPAC name of 3-ethoxy-1-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-2,2-dimethylcyclobutan-1-amine (CID 102963538) is 3-ethoxy-1-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-2,2-dimethylcyclobutan-1-amine.
What is the SMILES notation for 3-ethoxy-1-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-2,2-dimethylcyclobutan-1-amine?
The canonical SMILES for 3-ethoxy-1-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-2,2-dimethylcyclobutan-1-amine is CCOC1CC(N)(CN2CCC(C)C(OC)C2)C1(C)C.
What is the InChIKey of 3-ethoxy-1-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-2,2-dimethylcyclobutan-1-amine?
The InChIKey is YQIAKROEOMGUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-6-20-14-9-16(17,15(14,3)4)11-18-8-7-12(2)13(10-18)19-5/h12-14H,6-11,17H2,1-5H3.
What are the key properties of 3-ethoxy-1-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-2,2-dimethylcyclobutan-1-amine?
3-ethoxy-1-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-2,2-dimethylcyclobutan-1-amine has a molecular weight of 284.44 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-2,2-dimethylcyclobutan-1-amine is sourced from PubChem (CID 102963538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).