(2S,5S)-1-butyl-2,4,5-trimethylpiperazine

C11H24N2 — CID 121478340

IUPAC(2S,5S)-1-butyl-2,4,5-trimethylpiperazine
SMILESCCCCN1C[C@H](C)N(C)C[C@@H]1C
InChIInChI=1S/C11H24N2/c1-5-6-7-13-9-10(2)12(4)8-11(13)3/h10-11H,5-9H2,1-4H3/t10-,11-/m0/s1
InChIKeyBSJADTBSMKUABB-QWRGUYRKSA-N
MW184.33 g/mol
LogP1.81
Rot. Bonds3

About (2S,5S)-1-butyl-2,4,5-trimethylpiperazine

(2S,5S)-1-butyl-2,4,5-trimethylpiperazine (PubChem CID 121478340) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is (2S,5S)-1-butyl-2,4,5-trimethylpiperazine.

Molecular Properties

Compound Name(2S,5S)-1-butyl-2,4,5-trimethylpiperazine
PubChem CID121478340
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC Name(2S,5S)-1-butyl-2,4,5-trimethylpiperazine
SMILESCCCCN1C[C@H](C)N(C)C[C@@H]1C
InChIInChI=1S/C11H24N2/c1-5-6-7-13-9-10(2)12(4)8-11(13)3/h10-11H,5-9H2,1-4H3/t10-,11-/m0/s1
InChIKeyBSJADTBSMKUABB-QWRGUYRKSA-N
XLogP1.81
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-decyl-2,4,5-trimethylpiperazine
CID 3030120
1-heptyl-2-methylaziridine
CID 142378837
1-butyl-2,5-dimethylpiperidine
CID 130702123
1,2,5-trimethyl-4-(2-methylsulfanylethyl)piperazine
CID 131114155
1-butyl-2,6-dimethylazepane
CID 126990044
ethane;1,2,4,5-tetramethylpiperazine
CID 164865311
1-butyl-2,3-dimethylimidazolidine;hydrochloride
CID 174751170
1-butyl-N,2,5-trimethylpiperidin-4-amine
CID 3030418
(2S)-2-methyl-1-(4-methylhexyl)aziridine
CID 163523150
1-butyl-2-methylpiperidin-4-ol
CID 119028950
1-butyl-2-methylpyrrolidine;hydrobromide
CID 174642317
4-butyl-1,2,6-trimethylpiperazine
CID 126991132

Frequently Asked Questions

What is the IUPAC name of (2S,5S)-1-butyl-2,4,5-trimethylpiperazine?
The IUPAC name of (2S,5S)-1-butyl-2,4,5-trimethylpiperazine (CID 121478340) is (2S,5S)-1-butyl-2,4,5-trimethylpiperazine.
What is the SMILES notation for (2S,5S)-1-butyl-2,4,5-trimethylpiperazine?
The canonical SMILES for (2S,5S)-1-butyl-2,4,5-trimethylpiperazine is CCCCN1C[C@H](C)N(C)C[C@@H]1C.
What is the InChIKey of (2S,5S)-1-butyl-2,4,5-trimethylpiperazine?
The InChIKey is BSJADTBSMKUABB-QWRGUYRKSA-N. The full InChI is InChI=1S/C11H24N2/c1-5-6-7-13-9-10(2)12(4)8-11(13)3/h10-11H,5-9H2,1-4H3/t10-,11-/m0/s1.
What are the key properties of (2S,5S)-1-butyl-2,4,5-trimethylpiperazine?
(2S,5S)-1-butyl-2,4,5-trimethylpiperazine has a molecular weight of 184.33 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-1-butyl-2,4,5-trimethylpiperazine is sourced from PubChem (CID 121478340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).