2,5-dimethyl-1-undecylpiperazine

C17H36N2 — CID 3065446

IUPAC2,5-dimethyl-1-undecylpiperazine
SMILESCCCCCCCCCCCN1CC(C)NCC1C
InChIInChI=1S/C17H36N2/c1-4-5-6-7-8-9-10-11-12-13-19-15-16(2)18-14-17(19)3/h16-18H,4-15H2,1-3H3
InChIKeyWWAHRINFERLUJP-UHFFFAOYSA-N
MW268.49 g/mol
LogP4.20
Rot. Bonds10

About 2,5-dimethyl-1-undecylpiperazine

2,5-dimethyl-1-undecylpiperazine (PubChem CID 3065446) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is 2,5-dimethyl-1-undecylpiperazine.

Molecular Properties

Compound Name2,5-dimethyl-1-undecylpiperazine
PubChem CID3065446
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC Name2,5-dimethyl-1-undecylpiperazine
SMILESCCCCCCCCCCCN1CC(C)NCC1C
InChIInChI=1S/C17H36N2/c1-4-5-6-7-8-9-10-11-12-13-19-15-16(2)18-14-17(19)3/h16-18H,4-15H2,1-3H3
InChIKeyWWAHRINFERLUJP-UHFFFAOYSA-N
XLogP4.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.49
LogP ≤ 54.20
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 2,5-dimethyl-1-undecylpiperazine?
The IUPAC name of 2,5-dimethyl-1-undecylpiperazine (CID 3065446) is 2,5-dimethyl-1-undecylpiperazine.
What is the SMILES notation for 2,5-dimethyl-1-undecylpiperazine?
The canonical SMILES for 2,5-dimethyl-1-undecylpiperazine is CCCCCCCCCCCN1CC(C)NCC1C.
What is the InChIKey of 2,5-dimethyl-1-undecylpiperazine?
The InChIKey is WWAHRINFERLUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-4-5-6-7-8-9-10-11-12-13-19-15-16(2)18-14-17(19)3/h16-18H,4-15H2,1-3H3.
What are the key properties of 2,5-dimethyl-1-undecylpiperazine?
2,5-dimethyl-1-undecylpiperazine has a molecular weight of 268.49 g/mol, XLogP of 4.20, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-undecylpiperazine is sourced from PubChem (CID 3065446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).