2,6-diamino-1-piperidin-1-ylhexan-1-one

C11H23N3O — CID 18398588

IUPAC2,6-diamino-1-piperidin-1-ylhexan-1-one
SMILESNCCCCC(N)C(=O)N1CCCCC1
InChIInChI=1S/C11H23N3O/c12-7-3-2-6-10(13)11(15)14-8-4-1-5-9-14/h10H,1-9,12-13H2
InChIKeyMDGXMHHGFICIAS-UHFFFAOYSA-N
MW213.32 g/mol
LogP0.46
Rot. Bonds5

About 2,6-diamino-1-piperidin-1-ylhexan-1-one

2,6-diamino-1-piperidin-1-ylhexan-1-one (PubChem CID 18398588) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 2,6-diamino-1-piperidin-1-ylhexan-1-one.

Molecular Properties

Compound Name2,6-diamino-1-piperidin-1-ylhexan-1-one
PubChem CID18398588
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name2,6-diamino-1-piperidin-1-ylhexan-1-one
SMILESNCCCCC(N)C(=O)N1CCCCC1
InChIInChI=1S/C11H23N3O/c12-7-3-2-6-10(13)11(15)14-8-4-1-5-9-14/h10H,1-9,12-13H2
InChIKeyMDGXMHHGFICIAS-UHFFFAOYSA-N
XLogP0.46
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 2,6-diamino-1-piperidin-1-ylhexan-1-one?
The IUPAC name of 2,6-diamino-1-piperidin-1-ylhexan-1-one (CID 18398588) is 2,6-diamino-1-piperidin-1-ylhexan-1-one.
What is the SMILES notation for 2,6-diamino-1-piperidin-1-ylhexan-1-one?
The canonical SMILES for 2,6-diamino-1-piperidin-1-ylhexan-1-one is NCCCCC(N)C(=O)N1CCCCC1.
What is the InChIKey of 2,6-diamino-1-piperidin-1-ylhexan-1-one?
The InChIKey is MDGXMHHGFICIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c12-7-3-2-6-10(13)11(15)14-8-4-1-5-9-14/h10H,1-9,12-13H2.
What are the key properties of 2,6-diamino-1-piperidin-1-ylhexan-1-one?
2,6-diamino-1-piperidin-1-ylhexan-1-one has a molecular weight of 213.32 g/mol, XLogP of 0.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diamino-1-piperidin-1-ylhexan-1-one is sourced from PubChem (CID 18398588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).