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

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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).