1-[10-(1,4-dimethylpiperazin-1-ium-1-yl)decyl]-1,4-dimethylpiperazin-1-ium

C22H48N4+2 — CID 156599398

IUPAC1-[10-(1,4-dimethylpiperazin-1-ium-1-yl)decyl]-1,4-dimethylpiperazin-1-ium
SMILESCN1CC[N+](C)(CCCCCCCCCC[N+]2(C)CCN(C)CC2)CC1
InChIInChI=1S/C22H48N4/c1-23-13-19-25(3,20-14-23)17-11-9-7-5-6-8-10-12-18-26(4)21-15-24(2)16-22-26/h5-22H2,1-4H3/q+2
InChIKeySROYDOYEJVIAPJ-UHFFFAOYSA-N
MW368.65 g/mol
LogP2.89
Rot. Bonds11

About 1-[10-(1,4-dimethylpiperazin-1-ium-1-yl)decyl]-1,4-dimethylpiperazin-1-ium

1-[10-(1,4-dimethylpiperazin-1-ium-1-yl)decyl]-1,4-dimethylpiperazin-1-ium (PubChem CID 156599398) has the molecular formula C22H48N4+2 and a molecular weight of 368.65 g/mol. Its IUPAC name is 1-[10-(1,4-dimethylpiperazin-1-ium-1-yl)decyl]-1,4-dimethylpiperazin-1-ium.

Molecular Properties

Compound Name1-[10-(1,4-dimethylpiperazin-1-ium-1-yl)decyl]-1,4-dimethylpiperazin-1-ium
PubChem CID156599398
Molecular FormulaC22H48N4+2
Molecular Weight368.65 g/mol
Exact Mass368.39
IUPAC Name1-[10-(1,4-dimethylpiperazin-1-ium-1-yl)decyl]-1,4-dimethylpiperazin-1-ium
SMILESCN1CC[N+](C)(CCCCCCCCCC[N+]2(C)CCN(C)CC2)CC1
InChIInChI=1S/C22H48N4/c1-23-13-19-25(3,20-14-23)17-11-9-7-5-6-8-10-12-18-26(4)21-15-24(2)16-22-26/h5-22H2,1-4H3/q+2
InChIKeySROYDOYEJVIAPJ-UHFFFAOYSA-N
XLogP2.89
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.65
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,4-dimethyl-1-tetracosylpiperazin-1-ium
CID 68978139
1-dodecyl-1,4-dimethylpiperazin-1-ium
CID 68979496
1-(2-iodoethyl)-1,4-dimethylpiperazin-1-ium
CID 130433567
2-(1,4-dimethylpiperazin-1-ium-1-yl)ethanol chloride
CID 90239280
1-(2-bromoethyl)-1,4-dimethylpiperazin-1-ium iodide
CID 21465026
1-(3-azidopropyl)-1,4-dimethylpiperazin-1-ium bromide
CID 22457524
4-butyl-1-hexyl-1-methylpiperazin-1-ium
CID 171634022
1-methyl-1-[16-(1-methylpyrrolidin-1-ium-1-yl)hexadecyl]pyrrolidin-1-ium
CID 10650384
1-methyl-1-[10-(1-methylpiperidin-1-ium-1-yl)decyl]piperidin-1-ium
CID 3048054
1-methyl-1-[5-(1-methylpyrrolidin-1-ium-1-yl)pentyl]pyrrolidin-1-ium bromide
CID 156595016
1-methyl-1-[6-(1-methylpyrrolidin-1-ium-1-yl)hexyl]pyrrolidin-1-ium dihydroxide
CID 156717813
1,4-dimethyl-1,4-di(tetradecyl)piperazine-1,4-diium
CID 101485350

Frequently Asked Questions

What is the IUPAC name of 1-[10-(1,4-dimethylpiperazin-1-ium-1-yl)decyl]-1,4-dimethylpiperazin-1-ium?
The IUPAC name of 1-[10-(1,4-dimethylpiperazin-1-ium-1-yl)decyl]-1,4-dimethylpiperazin-1-ium (CID 156599398) is 1-[10-(1,4-dimethylpiperazin-1-ium-1-yl)decyl]-1,4-dimethylpiperazin-1-ium.
What is the SMILES notation for 1-[10-(1,4-dimethylpiperazin-1-ium-1-yl)decyl]-1,4-dimethylpiperazin-1-ium?
The canonical SMILES for 1-[10-(1,4-dimethylpiperazin-1-ium-1-yl)decyl]-1,4-dimethylpiperazin-1-ium is CN1CC[N+](C)(CCCCCCCCCC[N+]2(C)CCN(C)CC2)CC1.
What is the InChIKey of 1-[10-(1,4-dimethylpiperazin-1-ium-1-yl)decyl]-1,4-dimethylpiperazin-1-ium?
The InChIKey is SROYDOYEJVIAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H48N4/c1-23-13-19-25(3,20-14-23)17-11-9-7-5-6-8-10-12-18-26(4)21-15-24(2)16-22-26/h5-22H2,1-4H3/q+2.
What are the key properties of 1-[10-(1,4-dimethylpiperazin-1-ium-1-yl)decyl]-1,4-dimethylpiperazin-1-ium?
1-[10-(1,4-dimethylpiperazin-1-ium-1-yl)decyl]-1,4-dimethylpiperazin-1-ium has a molecular weight of 368.65 g/mol, XLogP of 2.89, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[10-(1,4-dimethylpiperazin-1-ium-1-yl)decyl]-1,4-dimethylpiperazin-1-ium is sourced from PubChem (CID 156599398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).