1-methyl-1,4,4-tripropylpiperazine-1,4-diium

C14H32N2+2 — CID 102468599

IUPAC1-methyl-1,4,4-tripropylpiperazine-1,4-diium
SMILESCCC[N+]1(C)CC[N+](CCC)(CCC)CC1
InChIInChI=1S/C14H32N2/c1-5-8-15(4)11-13-16(9-6-2,10-7-3)14-12-15/h5-14H2,1-4H3/q+2
InChIKeyQRSDDZSYBJEXFK-UHFFFAOYSA-N
MW228.42 g/mol
LogP2.49
Rot. Bonds6

About 1-methyl-1,4,4-tripropylpiperazine-1,4-diium

1-methyl-1,4,4-tripropylpiperazine-1,4-diium (PubChem CID 102468599) has the molecular formula C14H32N2+2 and a molecular weight of 228.42 g/mol. Its IUPAC name is 1-methyl-1,4,4-tripropylpiperazine-1,4-diium.

Molecular Properties

Compound Name1-methyl-1,4,4-tripropylpiperazine-1,4-diium
PubChem CID102468599
Molecular FormulaC14H32N2+2
Molecular Weight228.42 g/mol
Exact Mass228.26
IUPAC Name1-methyl-1,4,4-tripropylpiperazine-1,4-diium
SMILESCCC[N+]1(C)CC[N+](CCC)(CCC)CC1
InChIInChI=1S/C14H32N2/c1-5-8-15(4)11-13-16(9-6-2,10-7-3)14-12-15/h5-14H2,1-4H3/q+2
InChIKeyQRSDDZSYBJEXFK-UHFFFAOYSA-N
XLogP2.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.42
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-1,4,4-tripropylpiperazine-1,4-diium?
The IUPAC name of 1-methyl-1,4,4-tripropylpiperazine-1,4-diium (CID 102468599) is 1-methyl-1,4,4-tripropylpiperazine-1,4-diium.
What is the SMILES notation for 1-methyl-1,4,4-tripropylpiperazine-1,4-diium?
The canonical SMILES for 1-methyl-1,4,4-tripropylpiperazine-1,4-diium is CCC[N+]1(C)CC[N+](CCC)(CCC)CC1.
What is the InChIKey of 1-methyl-1,4,4-tripropylpiperazine-1,4-diium?
The InChIKey is QRSDDZSYBJEXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2/c1-5-8-15(4)11-13-16(9-6-2,10-7-3)14-12-15/h5-14H2,1-4H3/q+2.
What are the key properties of 1-methyl-1,4,4-tripropylpiperazine-1,4-diium?
1-methyl-1,4,4-tripropylpiperazine-1,4-diium has a molecular weight of 228.42 g/mol, XLogP of 2.49, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1,4,4-tripropylpiperazine-1,4-diium is sourced from PubChem (CID 102468599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).