2-amino-1-(4-methoxypiperidin-1-yl)butan-1-one

C10H20N2O2 — CID 43649581

IUPAC2-amino-1-(4-methoxypiperidin-1-yl)butan-1-one
SMILESCCC(N)C(=O)N1CCC(OC)CC1
InChIInChI=1S/C10H20N2O2/c1-3-9(11)10(13)12-6-4-8(14-2)5-7-12/h8-9H,3-7,11H2,1-2H3
InChIKeyXNXYZVAJKOFSQS-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.36
Rot. Bonds3

About 2-amino-1-(4-methoxypiperidin-1-yl)butan-1-one

2-amino-1-(4-methoxypiperidin-1-yl)butan-1-one (PubChem CID 43649581) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-amino-1-(4-methoxypiperidin-1-yl)butan-1-one.

Molecular Properties

Compound Name2-amino-1-(4-methoxypiperidin-1-yl)butan-1-one
PubChem CID43649581
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name2-amino-1-(4-methoxypiperidin-1-yl)butan-1-one
SMILESCCC(N)C(=O)N1CCC(OC)CC1
InChIInChI=1S/C10H20N2O2/c1-3-9(11)10(13)12-6-4-8(14-2)5-7-12/h8-9H,3-7,11H2,1-2H3
InChIKeyXNXYZVAJKOFSQS-UHFFFAOYSA-N
XLogP0.36
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-methoxypiperidin-1-yl)butan-1-one?
The IUPAC name of 2-amino-1-(4-methoxypiperidin-1-yl)butan-1-one (CID 43649581) is 2-amino-1-(4-methoxypiperidin-1-yl)butan-1-one.
What is the SMILES notation for 2-amino-1-(4-methoxypiperidin-1-yl)butan-1-one?
The canonical SMILES for 2-amino-1-(4-methoxypiperidin-1-yl)butan-1-one is CCC(N)C(=O)N1CCC(OC)CC1.
What is the InChIKey of 2-amino-1-(4-methoxypiperidin-1-yl)butan-1-one?
The InChIKey is XNXYZVAJKOFSQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-3-9(11)10(13)12-6-4-8(14-2)5-7-12/h8-9H,3-7,11H2,1-2H3.
What are the key properties of 2-amino-1-(4-methoxypiperidin-1-yl)butan-1-one?
2-amino-1-(4-methoxypiperidin-1-yl)butan-1-one has a molecular weight of 200.28 g/mol, XLogP of 0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-methoxypiperidin-1-yl)butan-1-one is sourced from PubChem (CID 43649581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).