oxo-bis(2-piperazin-1-ylethoxy)phosphanium

C12H26N4O3P+ — CID 155100973

IUPACoxo-bis(2-piperazin-1-ylethoxy)phosphanium
SMILESO=[P+](OCCN1CCNCC1)OCCN1CCNCC1
InChIInChI=1S/C12H26N4O3P/c17-20(18-11-9-15-5-1-13-2-6-15)19-12-10-16-7-3-14-4-8-16/h13-14H,1-12H2/q+1
InChIKeyKWIXJZOVUPJTGW-UHFFFAOYSA-N
MW305.34 g/mol
LogP-0.51
Rot. Bonds8

About oxo-bis(2-piperazin-1-ylethoxy)phosphanium

oxo-bis(2-piperazin-1-ylethoxy)phosphanium (PubChem CID 155100973) has the molecular formula C12H26N4O3P+ and a molecular weight of 305.34 g/mol. Its IUPAC name is oxo-bis(2-piperazin-1-ylethoxy)phosphanium.

Molecular Properties

Compound Nameoxo-bis(2-piperazin-1-ylethoxy)phosphanium
PubChem CID155100973
Molecular FormulaC12H26N4O3P+
Molecular Weight305.34 g/mol
Exact Mass305.17
IUPAC Nameoxo-bis(2-piperazin-1-ylethoxy)phosphanium
SMILESO=[P+](OCCN1CCNCC1)OCCN1CCNCC1
InChIInChI=1S/C12H26N4O3P/c17-20(18-11-9-15-5-1-13-2-6-15)19-12-10-16-7-3-14-4-8-16/h13-14H,1-12H2/q+1
InChIKeyKWIXJZOVUPJTGW-UHFFFAOYSA-N
XLogP-0.51
TPSA66.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-(2-piperazin-1-ylethoxymethyl)piperazine
CID 167474718
2-piperazin-1-ylethyl carbonochloridate
CID 19711096
1-[2-(2-nitrosoethoxy)ethyl]piperazine
CID 89331128
ethane;4-(2-piperazin-1-ylethoxy)butan-1-ol
CID 142367721
ethane;1-[2-(2-methoxyethoxy)ethyl]piperazine
CID 142390482
2-piperazin-1-ylethyl 2-iodopropanoate
CID 162508644
4-O-(2-methoxyethyl) 1-O-(2-piperazin-1-ylethyl) cyclohexane-1,4-dicarboxylate
CID 164933248
tert-butyl 2-[5-(2-piperazin-1-ylethoxy)pentoxy]acetate
CID 144664368
1-(2-piperazin-1-ylethyl)azocane
CID 60851971
1-(2-piperazin-1-ylethyl)-4-(piperazin-1-ylmethyl)piperazine
CID 91441427
1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-1,4-diazepane
CID 104560345
1-[2-(3,4-dimethylcyclohexyl)oxyethyl]piperazine
CID 64744385

Frequently Asked Questions

What is the IUPAC name of oxo-bis(2-piperazin-1-ylethoxy)phosphanium?
The IUPAC name of oxo-bis(2-piperazin-1-ylethoxy)phosphanium (CID 155100973) is oxo-bis(2-piperazin-1-ylethoxy)phosphanium.
What is the SMILES notation for oxo-bis(2-piperazin-1-ylethoxy)phosphanium?
The canonical SMILES for oxo-bis(2-piperazin-1-ylethoxy)phosphanium is O=[P+](OCCN1CCNCC1)OCCN1CCNCC1.
What is the InChIKey of oxo-bis(2-piperazin-1-ylethoxy)phosphanium?
The InChIKey is KWIXJZOVUPJTGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O3P/c17-20(18-11-9-15-5-1-13-2-6-15)19-12-10-16-7-3-14-4-8-16/h13-14H,1-12H2/q+1.
What are the key properties of oxo-bis(2-piperazin-1-ylethoxy)phosphanium?
oxo-bis(2-piperazin-1-ylethoxy)phosphanium has a molecular weight of 305.34 g/mol, XLogP of -0.51, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for oxo-bis(2-piperazin-1-ylethoxy)phosphanium is sourced from PubChem (CID 155100973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).