2-hexyl-1,2-dimethylpiperazine

C12H26N2 — CID 145382864

IUPAC2-hexyl-1,2-dimethylpiperazine
SMILESCCCCCCC1(C)CNCCN1C
InChIInChI=1S/C12H26N2/c1-4-5-6-7-8-12(2)11-13-9-10-14(12)3/h13H,4-11H2,1-3H3
InChIKeyIZULNGGFDKWPSK-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.25
Rot. Bonds5

About 2-hexyl-1,2-dimethylpiperazine

2-hexyl-1,2-dimethylpiperazine (PubChem CID 145382864) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 2-hexyl-1,2-dimethylpiperazine.

Molecular Properties

Compound Name2-hexyl-1,2-dimethylpiperazine
PubChem CID145382864
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name2-hexyl-1,2-dimethylpiperazine
SMILESCCCCCCC1(C)CNCCN1C
InChIInChI=1S/C12H26N2/c1-4-5-6-7-8-12(2)11-13-9-10-14(12)3/h13H,4-11H2,1-3H3
InChIKeyIZULNGGFDKWPSK-UHFFFAOYSA-N
XLogP2.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.25
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 2-hexyl-1,2-dimethylpiperazine?
The IUPAC name of 2-hexyl-1,2-dimethylpiperazine (CID 145382864) is 2-hexyl-1,2-dimethylpiperazine.
What is the SMILES notation for 2-hexyl-1,2-dimethylpiperazine?
The canonical SMILES for 2-hexyl-1,2-dimethylpiperazine is CCCCCCC1(C)CNCCN1C.
What is the InChIKey of 2-hexyl-1,2-dimethylpiperazine?
The InChIKey is IZULNGGFDKWPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-4-5-6-7-8-12(2)11-13-9-10-14(12)3/h13H,4-11H2,1-3H3.
What are the key properties of 2-hexyl-1,2-dimethylpiperazine?
2-hexyl-1,2-dimethylpiperazine has a molecular weight of 198.35 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexyl-1,2-dimethylpiperazine is sourced from PubChem (CID 145382864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).