4-amino-1-(1-methylpiperidin-4-yl)pentan-1-one

C11H22N2O — CID 116916278

IUPAC4-amino-1-(1-methylpiperidin-4-yl)pentan-1-one
SMILESCC(N)CCC(=O)C1CCN(C)CC1
InChIInChI=1S/C11H22N2O/c1-9(12)3-4-11(14)10-5-7-13(2)8-6-10/h9-10H,3-8,12H2,1-2H3
InChIKeyIQKKWEOQZSGJOY-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.02
Rot. Bonds4

About 4-amino-1-(1-methylpiperidin-4-yl)pentan-1-one

4-amino-1-(1-methylpiperidin-4-yl)pentan-1-one (PubChem CID 116916278) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 4-amino-1-(1-methylpiperidin-4-yl)pentan-1-one.

Molecular Properties

Compound Name4-amino-1-(1-methylpiperidin-4-yl)pentan-1-one
PubChem CID116916278
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name4-amino-1-(1-methylpiperidin-4-yl)pentan-1-one
SMILESCC(N)CCC(=O)C1CCN(C)CC1
InChIInChI=1S/C11H22N2O/c1-9(12)3-4-11(14)10-5-7-13(2)8-6-10/h9-10H,3-8,12H2,1-2H3
InChIKeyIQKKWEOQZSGJOY-UHFFFAOYSA-N
XLogP1.02
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(1-methylpiperidin-4-yl)pentan-1-one?
The IUPAC name of 4-amino-1-(1-methylpiperidin-4-yl)pentan-1-one (CID 116916278) is 4-amino-1-(1-methylpiperidin-4-yl)pentan-1-one.
What is the SMILES notation for 4-amino-1-(1-methylpiperidin-4-yl)pentan-1-one?
The canonical SMILES for 4-amino-1-(1-methylpiperidin-4-yl)pentan-1-one is CC(N)CCC(=O)C1CCN(C)CC1.
What is the InChIKey of 4-amino-1-(1-methylpiperidin-4-yl)pentan-1-one?
The InChIKey is IQKKWEOQZSGJOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-9(12)3-4-11(14)10-5-7-13(2)8-6-10/h9-10H,3-8,12H2,1-2H3.
What are the key properties of 4-amino-1-(1-methylpiperidin-4-yl)pentan-1-one?
4-amino-1-(1-methylpiperidin-4-yl)pentan-1-one has a molecular weight of 198.31 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(1-methylpiperidin-4-yl)pentan-1-one is sourced from PubChem (CID 116916278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).