(4-tert-butylpiperazin-1-yl)-trimethylphosphanium

C11H26N2P+ — CID 166868220

IUPAC(4-tert-butylpiperazin-1-yl)-trimethylphosphanium
SMILESCC(C)(C)N1CCN([P+](C)(C)C)CC1
InChIInChI=1S/C11H26N2P/c1-11(2,3)12-7-9-13(10-8-12)14(4,5)6/h7-10H2,1-6H3/q+1
InChIKeyCVWSQXZJBDAFIW-UHFFFAOYSA-N
MW217.32 g/mol
LogP2.22
Rot. Bonds1

About (4-tert-butylpiperazin-1-yl)-trimethylphosphanium

(4-tert-butylpiperazin-1-yl)-trimethylphosphanium (PubChem CID 166868220) has the molecular formula C11H26N2P+ and a molecular weight of 217.32 g/mol. Its IUPAC name is (4-tert-butylpiperazin-1-yl)-trimethylphosphanium.

Molecular Properties

Compound Name(4-tert-butylpiperazin-1-yl)-trimethylphosphanium
PubChem CID166868220
Molecular FormulaC11H26N2P+
Molecular Weight217.32 g/mol
Exact Mass217.18
IUPAC Name(4-tert-butylpiperazin-1-yl)-trimethylphosphanium
SMILESCC(C)(C)N1CCN([P+](C)(C)C)CC1
InChIInChI=1S/C11H26N2P/c1-11(2,3)12-7-9-13(10-8-12)14(4,5)6/h7-10H2,1-6H3/q+1
InChIKeyCVWSQXZJBDAFIW-UHFFFAOYSA-N
XLogP2.22
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-tert-butyl-4,7-dimethyl-1,4,7-triazonane;1,4-dimethyl-7-propan-2-yl-1,4,7-triazonane
CID 158395030
copper;1,4,7-tritert-butyl-1,4,7-triazonane;diperchlorate
CID 173221848
(2S)-1-(4-tert-butylpiperazin-1-yl)propan-2-amine
CID 94197824
azetidine;1-tert-butylpyrrolidine;2-methylpropane
CID 177188301
1,6-ditert-butyl-1,6-diazacycloundecane
CID 90712737
1-tert-butylazepane;1-tert-butylpiperidine
CID 158450868
1-tert-butyl-4,7,10-trimethyl-1,4,7,10-tetrazacyclododecane;methane;zinc
CID 162271168
2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;1,4-ditert-butylpiperazine
CID 159767975
2-bromo-1-(4-tert-butylpiperazin-1-yl)propan-1-one
CID 107904948
1-tert-butyl-4-methylpiperazine;propane
CID 159466011
1-tert-butylpiperidine;1-tert-butylpyrrolidine;ethane
CID 160950375
1-tert-butyl-3-(2-methylpropyl)imidazolidine
CID 130368535

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylpiperazin-1-yl)-trimethylphosphanium?
The IUPAC name of (4-tert-butylpiperazin-1-yl)-trimethylphosphanium (CID 166868220) is (4-tert-butylpiperazin-1-yl)-trimethylphosphanium.
What is the SMILES notation for (4-tert-butylpiperazin-1-yl)-trimethylphosphanium?
The canonical SMILES for (4-tert-butylpiperazin-1-yl)-trimethylphosphanium is CC(C)(C)N1CCN([P+](C)(C)C)CC1.
What is the InChIKey of (4-tert-butylpiperazin-1-yl)-trimethylphosphanium?
The InChIKey is CVWSQXZJBDAFIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2P/c1-11(2,3)12-7-9-13(10-8-12)14(4,5)6/h7-10H2,1-6H3/q+1.
What are the key properties of (4-tert-butylpiperazin-1-yl)-trimethylphosphanium?
(4-tert-butylpiperazin-1-yl)-trimethylphosphanium has a molecular weight of 217.32 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylpiperazin-1-yl)-trimethylphosphanium is sourced from PubChem (CID 166868220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).