3-methyl-1-[5-(methylamino)hexyl]piperidin-2-one

C13H26N2O — CID 104680063

IUPAC3-methyl-1-[5-(methylamino)hexyl]piperidin-2-one
SMILESCNC(C)CCCCN1CCCC(C)C1=O
InChIInChI=1S/C13H26N2O/c1-11-7-6-10-15(13(11)16)9-5-4-8-12(2)14-3/h11-12,14H,4-10H2,1-3H3
InChIKeyZKFRHYXWPZDSSI-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.02
Rot. Bonds6

About 3-methyl-1-[5-(methylamino)hexyl]piperidin-2-one

3-methyl-1-[5-(methylamino)hexyl]piperidin-2-one (PubChem CID 104680063) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 3-methyl-1-[5-(methylamino)hexyl]piperidin-2-one.

Molecular Properties

Compound Name3-methyl-1-[5-(methylamino)hexyl]piperidin-2-one
PubChem CID104680063
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name3-methyl-1-[5-(methylamino)hexyl]piperidin-2-one
SMILESCNC(C)CCCCN1CCCC(C)C1=O
InChIInChI=1S/C13H26N2O/c1-11-7-6-10-15(13(11)16)9-5-4-8-12(2)14-3/h11-12,14H,4-10H2,1-3H3
InChIKeyZKFRHYXWPZDSSI-UHFFFAOYSA-N
XLogP2.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[5-(methylamino)hexyl]piperidin-2-one?
The IUPAC name of 3-methyl-1-[5-(methylamino)hexyl]piperidin-2-one (CID 104680063) is 3-methyl-1-[5-(methylamino)hexyl]piperidin-2-one.
What is the SMILES notation for 3-methyl-1-[5-(methylamino)hexyl]piperidin-2-one?
The canonical SMILES for 3-methyl-1-[5-(methylamino)hexyl]piperidin-2-one is CNC(C)CCCCN1CCCC(C)C1=O.
What is the InChIKey of 3-methyl-1-[5-(methylamino)hexyl]piperidin-2-one?
The InChIKey is ZKFRHYXWPZDSSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-11-7-6-10-15(13(11)16)9-5-4-8-12(2)14-3/h11-12,14H,4-10H2,1-3H3.
What are the key properties of 3-methyl-1-[5-(methylamino)hexyl]piperidin-2-one?
3-methyl-1-[5-(methylamino)hexyl]piperidin-2-one has a molecular weight of 226.36 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[5-(methylamino)hexyl]piperidin-2-one is sourced from PubChem (CID 104680063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).