1-decyl-2,4,5-trimethylpiperazine

C17H36N2 — CID 3030120

IUPAC1-decyl-2,4,5-trimethylpiperazine
SMILESCCCCCCCCCCN1CC(C)N(C)CC1C
InChIInChI=1S/C17H36N2/c1-5-6-7-8-9-10-11-12-13-19-15-16(2)18(4)14-17(19)3/h16-17H,5-15H2,1-4H3
InChIKeyXDUAPRHRHKUEPZ-UHFFFAOYSA-N
MW268.49 g/mol
LogP4.15
Rot. Bonds9

About 1-decyl-2,4,5-trimethylpiperazine

1-decyl-2,4,5-trimethylpiperazine (PubChem CID 3030120) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is 1-decyl-2,4,5-trimethylpiperazine.

Molecular Properties

Compound Name1-decyl-2,4,5-trimethylpiperazine
PubChem CID3030120
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC Name1-decyl-2,4,5-trimethylpiperazine
SMILESCCCCCCCCCCN1CC(C)N(C)CC1C
InChIInChI=1S/C17H36N2/c1-5-6-7-8-9-10-11-12-13-19-15-16(2)18(4)14-17(19)3/h16-17H,5-15H2,1-4H3
InChIKeyXDUAPRHRHKUEPZ-UHFFFAOYSA-N
XLogP4.15
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.49
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S,5S)-1-butyl-2,4,5-trimethylpiperazine
CID 121478340
1-heptyl-2-methylaziridine
CID 142378837
1-dodecyl-2,5-dimethylpiperazine
CID 3030143
3,7-dimethyl-1-octyl-1,4-diazepane
CID 64870958
dodecyl 3-[4-(3-dodecoxy-3-oxopropyl)-2,5-dimethylpiperazin-1-yl]propanoate
CID 20607045
1,2,5-trimethyl-4-(2-methylsulfanylethyl)piperazine
CID 131114155
(6-methyl-1-octylpiperidin-3-yl)methanamine
CID 55211233
(5-methyl-4-octylmorpholin-2-yl)methanamine
CID 81217426
1-heptyl-2-methyl-5-propan-2-ylpiperazine
CID 64833309
1-decyl-3-ethyl-7-methyl-1,4-diazepane
CID 64869451
2-(chloromethyl)-4-hexyl-5-methylmorpholine
CID 81209823
2-(bromomethyl)-4-heptyl-5-methylmorpholine
CID 81209581

Frequently Asked Questions

What is the IUPAC name of 1-decyl-2,4,5-trimethylpiperazine?
The IUPAC name of 1-decyl-2,4,5-trimethylpiperazine (CID 3030120) is 1-decyl-2,4,5-trimethylpiperazine.
What is the SMILES notation for 1-decyl-2,4,5-trimethylpiperazine?
The canonical SMILES for 1-decyl-2,4,5-trimethylpiperazine is CCCCCCCCCCN1CC(C)N(C)CC1C.
What is the InChIKey of 1-decyl-2,4,5-trimethylpiperazine?
The InChIKey is XDUAPRHRHKUEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-5-6-7-8-9-10-11-12-13-19-15-16(2)18(4)14-17(19)3/h16-17H,5-15H2,1-4H3.
What are the key properties of 1-decyl-2,4,5-trimethylpiperazine?
1-decyl-2,4,5-trimethylpiperazine has a molecular weight of 268.49 g/mol, XLogP of 4.15, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decyl-2,4,5-trimethylpiperazine is sourced from PubChem (CID 3030120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).