4-(2,2-dimethylpropyl)-1-methoxy-1-methylpiperazin-1-ium

C11H25N2O+ — CID 139568548

IUPAC4-(2,2-dimethylpropyl)-1-methoxy-1-methylpiperazin-1-ium
SMILESCO[N+]1(C)CCN(CC(C)(C)C)CC1
InChIInChI=1S/C11H25N2O/c1-11(2,3)10-12-6-8-13(4,14-5)9-7-12/h6-10H2,1-5H3/q+1
InChIKeyRTEPJYGYQQUAAY-UHFFFAOYSA-N
MW201.33 g/mol
LogP1.36
Rot. Bonds2

About 4-(2,2-dimethylpropyl)-1-methoxy-1-methylpiperazin-1-ium

4-(2,2-dimethylpropyl)-1-methoxy-1-methylpiperazin-1-ium (PubChem CID 139568548) has the molecular formula C11H25N2O+ and a molecular weight of 201.33 g/mol. Its IUPAC name is 4-(2,2-dimethylpropyl)-1-methoxy-1-methylpiperazin-1-ium.

Molecular Properties

Compound Name4-(2,2-dimethylpropyl)-1-methoxy-1-methylpiperazin-1-ium
PubChem CID139568548
Molecular FormulaC11H25N2O+
Molecular Weight201.33 g/mol
Exact Mass201.20
IUPAC Name4-(2,2-dimethylpropyl)-1-methoxy-1-methylpiperazin-1-ium
SMILESCO[N+]1(C)CCN(CC(C)(C)C)CC1
InChIInChI=1S/C11H25N2O/c1-11(2,3)10-12-6-8-13(4,14-5)9-7-12/h6-10H2,1-5H3/q+1
InChIKeyRTEPJYGYQQUAAY-UHFFFAOYSA-N
XLogP1.36
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.33
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2,2-dimethylpropyl)azocane
CID 131007399
1-(2,2-dimethylpropyl)-4-methylpiperazine
CID 12566800
1-(2,2-dimethylpropyl)piperidine;ethane
CID 162156975
1-(2,2-dimethylpropyl)-N-methylpiperidin-4-amine
CID 59679434
1-(2,2-dimethylpropyl)-4-[1-(2,2-dimethylpropyl)piperidin-4-yl]piperidine
CID 159988708
1,3-bis(2,2-dimethylpropyl)-1,3-diazetidine
CID 135167675
3-tert-butyl-9-(2,2-dimethylpropyl)-3,9-diazaspiro[5.5]undecane
CID 156551247
4-(2,2-dimethylpropyl)-N,N-dimethylpiperazin-1-amine
CID 122427918
1-(2,2-dimethylpropyl)piperidine-4-thiol
CID 137454957
1,3-bis(2,2-dimethylpropyl)-1,3-diazepane
CID 102582052
2-tert-butyl-7-(2,2-dimethylpropyl)-2,7-diazaspiro[3.5]nonane
CID 171406778
1-(2,2-dimethylpropyl)piperidine;1-[2-(2-methoxyethoxy)ethoxy]-2,2-dimethylpropane
CID 163709399

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropyl)-1-methoxy-1-methylpiperazin-1-ium?
The IUPAC name of 4-(2,2-dimethylpropyl)-1-methoxy-1-methylpiperazin-1-ium (CID 139568548) is 4-(2,2-dimethylpropyl)-1-methoxy-1-methylpiperazin-1-ium.
What is the SMILES notation for 4-(2,2-dimethylpropyl)-1-methoxy-1-methylpiperazin-1-ium?
The canonical SMILES for 4-(2,2-dimethylpropyl)-1-methoxy-1-methylpiperazin-1-ium is CO[N+]1(C)CCN(CC(C)(C)C)CC1.
What is the InChIKey of 4-(2,2-dimethylpropyl)-1-methoxy-1-methylpiperazin-1-ium?
The InChIKey is RTEPJYGYQQUAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N2O/c1-11(2,3)10-12-6-8-13(4,14-5)9-7-12/h6-10H2,1-5H3/q+1.
What are the key properties of 4-(2,2-dimethylpropyl)-1-methoxy-1-methylpiperazin-1-ium?
4-(2,2-dimethylpropyl)-1-methoxy-1-methylpiperazin-1-ium has a molecular weight of 201.33 g/mol, XLogP of 1.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropyl)-1-methoxy-1-methylpiperazin-1-ium is sourced from PubChem (CID 139568548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).