4-(1-aminoethyl)-1-methylpiperidin-2-one;4-(1-aminoethyl)-1-methylpyridin-2-one

C16H28N4O2 — CID 158148064

IUPAC4-(1-aminoethyl)-1-methylpiperidin-2-one;4-(1-aminoethyl)-1-methylpyridin-2-one
SMILESCC(N)C1CCN(C)C(=O)C1.CC(N)c1ccn(C)c(=O)c1
InChIInChI=1S/C8H16N2O.C8H12N2O/c2*1-6(9)7-3-4-10(2)8(11)5-7/h6-7H,3-5,9H2,1-2H3;3-6H,9H2,1-2H3
InChIKeyFUTKEZQWCHZGEG-UHFFFAOYSA-N
MW308.43 g/mol
LogP0.61
Rot. Bonds2

About 4-(1-aminoethyl)-1-methylpiperidin-2-one;4-(1-aminoethyl)-1-methylpyridin-2-one

4-(1-aminoethyl)-1-methylpiperidin-2-one;4-(1-aminoethyl)-1-methylpyridin-2-one (PubChem CID 158148064) has the molecular formula C16H28N4O2 and a molecular weight of 308.43 g/mol. Its IUPAC name is 4-(1-aminoethyl)-1-methylpiperidin-2-one;4-(1-aminoethyl)-1-methylpyridin-2-one.

Molecular Properties

Compound Name4-(1-aminoethyl)-1-methylpiperidin-2-one;4-(1-aminoethyl)-1-methylpyridin-2-one
PubChem CID158148064
Molecular FormulaC16H28N4O2
Molecular Weight308.43 g/mol
Exact Mass308.22
IUPAC Name4-(1-aminoethyl)-1-methylpiperidin-2-one;4-(1-aminoethyl)-1-methylpyridin-2-one
SMILESCC(N)C1CCN(C)C(=O)C1.CC(N)c1ccn(C)c(=O)c1
InChIInChI=1S/C8H16N2O.C8H12N2O/c2*1-6(9)7-3-4-10(2)8(11)5-7/h6-7H,3-5,9H2,1-2H3;3-6H,9H2,1-2H3
InChIKeyFUTKEZQWCHZGEG-UHFFFAOYSA-N
XLogP0.61
TPSA94.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1-aminoethyl)-1-methylpiperidin-2-one;4-(1-aminoethyl)-1-methylpyridin-2-one?
The IUPAC name of 4-(1-aminoethyl)-1-methylpiperidin-2-one;4-(1-aminoethyl)-1-methylpyridin-2-one (CID 158148064) is 4-(1-aminoethyl)-1-methylpiperidin-2-one;4-(1-aminoethyl)-1-methylpyridin-2-one.
What is the SMILES notation for 4-(1-aminoethyl)-1-methylpiperidin-2-one;4-(1-aminoethyl)-1-methylpyridin-2-one?
The canonical SMILES for 4-(1-aminoethyl)-1-methylpiperidin-2-one;4-(1-aminoethyl)-1-methylpyridin-2-one is CC(N)C1CCN(C)C(=O)C1.CC(N)c1ccn(C)c(=O)c1.
What is the InChIKey of 4-(1-aminoethyl)-1-methylpiperidin-2-one;4-(1-aminoethyl)-1-methylpyridin-2-one?
The InChIKey is FUTKEZQWCHZGEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O.C8H12N2O/c2*1-6(9)7-3-4-10(2)8(11)5-7/h6-7H,3-5,9H2,1-2H3;3-6H,9H2,1-2H3.
What are the key properties of 4-(1-aminoethyl)-1-methylpiperidin-2-one;4-(1-aminoethyl)-1-methylpyridin-2-one?
4-(1-aminoethyl)-1-methylpiperidin-2-one;4-(1-aminoethyl)-1-methylpyridin-2-one has a molecular weight of 308.43 g/mol, XLogP of 0.61, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminoethyl)-1-methylpiperidin-2-one;4-(1-aminoethyl)-1-methylpyridin-2-one is sourced from PubChem (CID 158148064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).