1-tert-butyl-1,4-dimethylpiperazin-1-ium

C10H23N2+ — CID 58529148

IUPAC1-tert-butyl-1,4-dimethylpiperazin-1-ium
SMILESCN1CC[N+](C)(C(C)(C)C)CC1
InChIInChI=1S/C10H23N2/c1-10(2,3)12(5)8-6-11(4)7-9-12/h6-9H2,1-5H3/q+1
InChIKeyRTJMKEPXBMIKTO-UHFFFAOYSA-N
MW171.31 g/mol
LogP1.18
Rot. Bonds

About 1-tert-butyl-1,4-dimethylpiperazin-1-ium

1-tert-butyl-1,4-dimethylpiperazin-1-ium (PubChem CID 58529148) has the molecular formula C10H23N2+ and a molecular weight of 171.31 g/mol. Its IUPAC name is 1-tert-butyl-1,4-dimethylpiperazin-1-ium.

Molecular Properties

Compound Name1-tert-butyl-1,4-dimethylpiperazin-1-ium
PubChem CID58529148
Molecular FormulaC10H23N2+
Molecular Weight171.31 g/mol
Exact Mass171.19
IUPAC Name1-tert-butyl-1,4-dimethylpiperazin-1-ium
SMILESCN1CC[N+](C)(C(C)(C)C)CC1
InChIInChI=1S/C10H23N2/c1-10(2,3)12(5)8-6-11(4)7-9-12/h6-9H2,1-5H3/q+1
InChIKeyRTJMKEPXBMIKTO-UHFFFAOYSA-N
XLogP1.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.31
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

1-tert-butyl-1-methylaziridin-1-ium
CID 19838337
1-tert-butyl-4-(5,5-dimethylhexyl)-1-methylpiperazin-1-ium
CID 168851440
methane;1,1,4-trimethylpiperazin-1-ium
CID 160518182
1-tert-butyl-4-aza-1-azoniabicyclo[2.2.2]octane;1-tert-butyl-1,4-dimethylpiperazin-1-ium;4-tert-butyl-4-methylmorpholin-4-ium;1-tert-butyl-1-methylpiperidin-1-ium;1-tert-butyl-1-methylpyrrolidin-1-ium;tert-butyl(triethyl)azanium;tert-butyl(trimethyl)azanium;1-tert-butyl-1,4,4-trimethylpiperazine-1,4-diium
CID 159190834
1-tert-butyl-1,3-dimethylazetidin-1-ium;1-tert-butyl-1,3-dimethylazetidin-1-ium-3-ol;1-tert-butyl-1,4-dimethylpiperazin-1-ium;1-tert-butyl-1,4-dimethylpiperidin-1-ium;(1-tert-butyl-1-methylpyrrolidin-1-ium-2-yl)methanol;carbanide;methane
CID 158182470
1-(1,4-dimethylpiperazin-1-ium-1-yl)ethanone
CID 54094876
1-[10-(1,4-dimethylpiperazin-1-ium-1-yl)decyl]-1,4-dimethylpiperazin-1-ium
CID 156599398
1-(2-iodoethyl)-1,4-dimethylpiperazin-1-ium
CID 130433567
2-(1,4-dimethylpiperazin-1-ium-1-yl)ethanol chloride
CID 90239280
1-butan-2-yl-1,4-dimethylpiperazin-1-ium
CID 163474057
1-(2-bromoethyl)-1,4-dimethylpiperazin-1-ium iodide
CID 21465026
1,4-dimethylpiperazine;ethane
CID 91292414

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-1,4-dimethylpiperazin-1-ium?
The IUPAC name of 1-tert-butyl-1,4-dimethylpiperazin-1-ium (CID 58529148) is 1-tert-butyl-1,4-dimethylpiperazin-1-ium.
What is the SMILES notation for 1-tert-butyl-1,4-dimethylpiperazin-1-ium?
The canonical SMILES for 1-tert-butyl-1,4-dimethylpiperazin-1-ium is CN1CC[N+](C)(C(C)(C)C)CC1.
What is the InChIKey of 1-tert-butyl-1,4-dimethylpiperazin-1-ium?
The InChIKey is RTJMKEPXBMIKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N2/c1-10(2,3)12(5)8-6-11(4)7-9-12/h6-9H2,1-5H3/q+1.
What are the key properties of 1-tert-butyl-1,4-dimethylpiperazin-1-ium?
1-tert-butyl-1,4-dimethylpiperazin-1-ium has a molecular weight of 171.31 g/mol, XLogP of 1.18, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-1,4-dimethylpiperazin-1-ium is sourced from PubChem (CID 58529148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).