1-decyl-2,5-dimethylpiperazine

C16H34N2 — CID 3065171

IUPAC1-decyl-2,5-dimethylpiperazine
SMILESCCCCCCCCCCN1CC(C)NCC1C
InChIInChI=1S/C16H34N2/c1-4-5-6-7-8-9-10-11-12-18-14-15(2)17-13-16(18)3/h15-17H,4-14H2,1-3H3
InChIKeySDGRGWFZYSKPCV-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.81
Rot. Bonds9

About 1-decyl-2,5-dimethylpiperazine

1-decyl-2,5-dimethylpiperazine (PubChem CID 3065171) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 1-decyl-2,5-dimethylpiperazine.

Molecular Properties

Compound Name1-decyl-2,5-dimethylpiperazine
PubChem CID3065171
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name1-decyl-2,5-dimethylpiperazine
SMILESCCCCCCCCCCN1CC(C)NCC1C
InChIInChI=1S/C16H34N2/c1-4-5-6-7-8-9-10-11-12-18-14-15(2)17-13-16(18)3/h15-17H,4-14H2,1-3H3
InChIKeySDGRGWFZYSKPCV-UHFFFAOYSA-N
XLogP3.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.81
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 1-decyl-2,5-dimethylpiperazine?
The IUPAC name of 1-decyl-2,5-dimethylpiperazine (CID 3065171) is 1-decyl-2,5-dimethylpiperazine.
What is the SMILES notation for 1-decyl-2,5-dimethylpiperazine?
The canonical SMILES for 1-decyl-2,5-dimethylpiperazine is CCCCCCCCCCN1CC(C)NCC1C.
What is the InChIKey of 1-decyl-2,5-dimethylpiperazine?
The InChIKey is SDGRGWFZYSKPCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-4-5-6-7-8-9-10-11-12-18-14-15(2)17-13-16(18)3/h15-17H,4-14H2,1-3H3.
What are the key properties of 1-decyl-2,5-dimethylpiperazine?
1-decyl-2,5-dimethylpiperazine has a molecular weight of 254.46 g/mol, XLogP of 3.81, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decyl-2,5-dimethylpiperazine is sourced from PubChem (CID 3065171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).