1-[4-[methyl-[3-(methylamino)propyl]amino]piperidin-1-yl]ethanone

C12H25N3O — CID 70287860

IUPAC1-[4-[methyl-[3-(methylamino)propyl]amino]piperidin-1-yl]ethanone
SMILESCNCCCN(C)C1CCN(C(C)=O)CC1
InChIInChI=1S/C12H25N3O/c1-11(16)15-9-5-12(6-10-15)14(3)8-4-7-13-2/h12-13H,4-10H2,1-3H3
InChIKeyVNALPEUZBQHDAG-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.54
Rot. Bonds5

About 1-[4-[methyl-[3-(methylamino)propyl]amino]piperidin-1-yl]ethanone

1-[4-[methyl-[3-(methylamino)propyl]amino]piperidin-1-yl]ethanone (PubChem CID 70287860) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 1-[4-[methyl-[3-(methylamino)propyl]amino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[methyl-[3-(methylamino)propyl]amino]piperidin-1-yl]ethanone
PubChem CID70287860
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name1-[4-[methyl-[3-(methylamino)propyl]amino]piperidin-1-yl]ethanone
SMILESCNCCCN(C)C1CCN(C(C)=O)CC1
InChIInChI=1S/C12H25N3O/c1-11(16)15-9-5-12(6-10-15)14(3)8-4-7-13-2/h12-13H,4-10H2,1-3H3
InChIKeyVNALPEUZBQHDAG-UHFFFAOYSA-N
XLogP0.54
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.54
H-Bond Donors ≤ 51
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 1-[4-[methyl-[3-(methylamino)propyl]amino]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[methyl-[3-(methylamino)propyl]amino]piperidin-1-yl]ethanone (CID 70287860) is 1-[4-[methyl-[3-(methylamino)propyl]amino]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[methyl-[3-(methylamino)propyl]amino]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[methyl-[3-(methylamino)propyl]amino]piperidin-1-yl]ethanone is CNCCCN(C)C1CCN(C(C)=O)CC1.
What is the InChIKey of 1-[4-[methyl-[3-(methylamino)propyl]amino]piperidin-1-yl]ethanone?
The InChIKey is VNALPEUZBQHDAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-11(16)15-9-5-12(6-10-15)14(3)8-4-7-13-2/h12-13H,4-10H2,1-3H3.
What are the key properties of 1-[4-[methyl-[3-(methylamino)propyl]amino]piperidin-1-yl]ethanone?
1-[4-[methyl-[3-(methylamino)propyl]amino]piperidin-1-yl]ethanone has a molecular weight of 227.35 g/mol, XLogP of 0.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[methyl-[3-(methylamino)propyl]amino]piperidin-1-yl]ethanone is sourced from PubChem (CID 70287860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).