1-butan-2-yl-1,4-dimethylpiperazin-1-ium

C10H23N2+ — CID 163474057

IUPAC1-butan-2-yl-1,4-dimethylpiperazin-1-ium
SMILESCCC(C)[N+]1(C)CCN(C)CC1
InChIInChI=1S/C10H23N2/c1-5-10(2)12(4)8-6-11(3)7-9-12/h10H,5-9H2,1-4H3/q+1
InChIKeyBYXMSGUJDUTBCN-UHFFFAOYSA-N
MW171.31 g/mol
LogP1.18
Rot. Bonds2

About 1-butan-2-yl-1,4-dimethylpiperazin-1-ium

1-butan-2-yl-1,4-dimethylpiperazin-1-ium (PubChem CID 163474057) has the molecular formula C10H23N2+ and a molecular weight of 171.31 g/mol. Its IUPAC name is 1-butan-2-yl-1,4-dimethylpiperazin-1-ium.

Molecular Properties

Compound Name1-butan-2-yl-1,4-dimethylpiperazin-1-ium
PubChem CID163474057
Molecular FormulaC10H23N2+
Molecular Weight171.31 g/mol
Exact Mass171.19
IUPAC Name1-butan-2-yl-1,4-dimethylpiperazin-1-ium
SMILESCCC(C)[N+]1(C)CCN(C)CC1
InChIInChI=1S/C10H23N2/c1-5-10(2)12(4)8-6-11(3)7-9-12/h10H,5-9H2,1-4H3/q+1
InChIKeyBYXMSGUJDUTBCN-UHFFFAOYSA-N
XLogP1.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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-(1,3-dibromobutyl)-1,4-dimethylpiperazin-1-ium
CID 57106327
methane;1,1,4-trimethylpiperazin-1-ium
CID 160518182
1-[10-(1,4-dimethylpiperazin-1-ium-1-yl)decyl]-1,4-dimethylpiperazin-1-ium
CID 156599398
1,4-dimethyl-1-tetracosylpiperazin-1-ium
CID 68978139
1-dodecyl-1,4-dimethylpiperazin-1-ium
CID 68979496
1-methyl-4-[(2S)-2-methylbutyl]piperazine
CID 130224614
1-(2-iodoethyl)-1,4-dimethylpiperazin-1-ium
CID 130433567
1-tert-butyl-1,4-dimethylpiperazin-1-ium
CID 58529148
1-[1-(4,7-dimethyl-1,4,7-triazonan-1-yl)propyl]-4,7-dimethyl-1,4,7-triazonane
CID 118278399
1-methyl-4-(2-methylpropyl)piperazine
CID 20562082
1-ethyl-4-(2-methylpropyl)piperazine;1-methyl-4-(2-methylpropyl)piperazine
CID 165044772
1-ethyl-4,7-dimethyl-10-(2-methylpropyl)-1,4,7,10-tetrazacyclododecane
CID 118545612

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-1,4-dimethylpiperazin-1-ium?
The IUPAC name of 1-butan-2-yl-1,4-dimethylpiperazin-1-ium (CID 163474057) is 1-butan-2-yl-1,4-dimethylpiperazin-1-ium.
What is the SMILES notation for 1-butan-2-yl-1,4-dimethylpiperazin-1-ium?
The canonical SMILES for 1-butan-2-yl-1,4-dimethylpiperazin-1-ium is CCC(C)[N+]1(C)CCN(C)CC1.
What is the InChIKey of 1-butan-2-yl-1,4-dimethylpiperazin-1-ium?
The InChIKey is BYXMSGUJDUTBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N2/c1-5-10(2)12(4)8-6-11(3)7-9-12/h10H,5-9H2,1-4H3/q+1.
What are the key properties of 1-butan-2-yl-1,4-dimethylpiperazin-1-ium?
1-butan-2-yl-1,4-dimethylpiperazin-1-ium has a molecular weight of 171.31 g/mol, XLogP of 1.18, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-1,4-dimethylpiperazin-1-ium is sourced from PubChem (CID 163474057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).