1-[4-[5-(ethylamino)pentyl]-2,6-dimethylpiperazin-1-yl]propan-2-one

C16H33N3O — CID 66599193

IUPAC1-[4-[5-(ethylamino)pentyl]-2,6-dimethylpiperazin-1-yl]propan-2-one
SMILESCCNCCCCCN1CC(C)N(CC(C)=O)C(C)C1
InChIInChI=1S/C16H33N3O/c1-5-17-9-7-6-8-10-18-11-14(2)19(13-16(4)20)15(3)12-18/h14-15,17H,5-13H2,1-4H3
InChIKeyDTGPEBUVNCNDNE-UHFFFAOYSA-N
MW283.46 g/mol
LogP1.75
Rot. Bonds9

About 1-[4-[5-(ethylamino)pentyl]-2,6-dimethylpiperazin-1-yl]propan-2-one

1-[4-[5-(ethylamino)pentyl]-2,6-dimethylpiperazin-1-yl]propan-2-one (PubChem CID 66599193) has the molecular formula C16H33N3O and a molecular weight of 283.46 g/mol. Its IUPAC name is 1-[4-[5-(ethylamino)pentyl]-2,6-dimethylpiperazin-1-yl]propan-2-one.

Molecular Properties

Compound Name1-[4-[5-(ethylamino)pentyl]-2,6-dimethylpiperazin-1-yl]propan-2-one
PubChem CID66599193
Molecular FormulaC16H33N3O
Molecular Weight283.46 g/mol
Exact Mass283.26
IUPAC Name1-[4-[5-(ethylamino)pentyl]-2,6-dimethylpiperazin-1-yl]propan-2-one
SMILESCCNCCCCCN1CC(C)N(CC(C)=O)C(C)C1
InChIInChI=1S/C16H33N3O/c1-5-17-9-7-6-8-10-18-11-14(2)19(13-16(4)20)15(3)12-18/h14-15,17H,5-13H2,1-4H3
InChIKeyDTGPEBUVNCNDNE-UHFFFAOYSA-N
XLogP1.75
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[5-(ethylamino)pentyl]-2,6-dimethylpiperazin-1-yl]propan-2-one?
The IUPAC name of 1-[4-[5-(ethylamino)pentyl]-2,6-dimethylpiperazin-1-yl]propan-2-one (CID 66599193) is 1-[4-[5-(ethylamino)pentyl]-2,6-dimethylpiperazin-1-yl]propan-2-one.
What is the SMILES notation for 1-[4-[5-(ethylamino)pentyl]-2,6-dimethylpiperazin-1-yl]propan-2-one?
The canonical SMILES for 1-[4-[5-(ethylamino)pentyl]-2,6-dimethylpiperazin-1-yl]propan-2-one is CCNCCCCCN1CC(C)N(CC(C)=O)C(C)C1.
What is the InChIKey of 1-[4-[5-(ethylamino)pentyl]-2,6-dimethylpiperazin-1-yl]propan-2-one?
The InChIKey is DTGPEBUVNCNDNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O/c1-5-17-9-7-6-8-10-18-11-14(2)19(13-16(4)20)15(3)12-18/h14-15,17H,5-13H2,1-4H3.
What are the key properties of 1-[4-[5-(ethylamino)pentyl]-2,6-dimethylpiperazin-1-yl]propan-2-one?
1-[4-[5-(ethylamino)pentyl]-2,6-dimethylpiperazin-1-yl]propan-2-one has a molecular weight of 283.46 g/mol, XLogP of 1.75, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-(ethylamino)pentyl]-2,6-dimethylpiperazin-1-yl]propan-2-one is sourced from PubChem (CID 66599193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).