1-[2-[1,1-bis(2-piperazin-1-ylethoxy)ethoxy]ethyl]piperazine

C20H42N6O3 — CID 67951217

IUPAC1-[2-[1,1-bis(2-piperazin-1-ylethoxy)ethoxy]ethyl]piperazine
SMILESCC(OCCN1CCNCC1)(OCCN1CCNCC1)OCCN1CCNCC1
InChIInChI=1S/C20H42N6O3/c1-20(27-17-14-24-8-2-21-3-9-24,28-18-15-25-10-4-22-5-11-25)29-19-16-26-12-6-23-7-13-26/h21-23H,2-19H2,1H3
InChIKeyORXVUOPTJRDWKX-UHFFFAOYSA-N
MW414.60 g/mol
LogP-1.57
Rot. Bonds12

About 1-[2-[1,1-bis(2-piperazin-1-ylethoxy)ethoxy]ethyl]piperazine

1-[2-[1,1-bis(2-piperazin-1-ylethoxy)ethoxy]ethyl]piperazine (PubChem CID 67951217) has the molecular formula C20H42N6O3 and a molecular weight of 414.60 g/mol. Its IUPAC name is 1-[2-[1,1-bis(2-piperazin-1-ylethoxy)ethoxy]ethyl]piperazine.

Molecular Properties

Compound Name1-[2-[1,1-bis(2-piperazin-1-ylethoxy)ethoxy]ethyl]piperazine
PubChem CID67951217
Molecular FormulaC20H42N6O3
Molecular Weight414.60 g/mol
Exact Mass414.33
IUPAC Name1-[2-[1,1-bis(2-piperazin-1-ylethoxy)ethoxy]ethyl]piperazine
SMILESCC(OCCN1CCNCC1)(OCCN1CCNCC1)OCCN1CCNCC1
InChIInChI=1S/C20H42N6O3/c1-20(27-17-14-24-8-2-21-3-9-24,28-18-15-25-10-4-22-5-11-25)29-19-16-26-12-6-23-7-13-26/h21-23H,2-19H2,1H3
InChIKeyORXVUOPTJRDWKX-UHFFFAOYSA-N
XLogP-1.57
TPSA73.50 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.60
LogP ≤ 5-1.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis(2-morpholin-4-ylethyl)-N'-[3-(2-morpholin-4-ylethylamino)propyl]propane-1,3-diamine
CID 59841341
N-[2-[1,1-bis[2-(2-piperazin-1-ylethylamino)ethoxy]ethoxy]ethyl]-2-piperazin-1-ylethanamine
CID 67951215
2-[4-[2-[2-[2-[4-(2-Aminoethyl)piperazin-1-yl]ethoxy]propan-2-yloxy]ethyl]piperazin-1-yl]ethanamine
CID 67951228
2-[4-[2-[1-[2-[4-(2-Aminoethyl)piperazin-1-yl]ethoxy]ethoxy]ethyl]piperazin-1-yl]ethanamine
CID 67951233
2-[4-[2-[1,1-Bis[2-[4-(2-aminoethyl)piperazin-1-yl]ethoxy]ethoxy]ethyl]piperazin-1-yl]ethanamine
CID 67951254
N-ethyl-3-[4-[2-(ethylamino)ethyl]-1,7-dioxa-4,10-diazaspiro[5.5]undecan-10-yl]propan-1-amine
CID 71067138
2-[4-[2-[1-[2-(4-Propylpiperazin-1-yl)ethoxy]ethoxy]ethyl]piperazin-1-yl]ethanamine
CID 89804174
2-[4-[2-[2-[2-(4-Propylpiperazin-1-yl)ethoxy]propan-2-yloxy]ethyl]piperazin-1-yl]ethanamine
CID 89804175
1-[2-[Tris(2-piperazin-1-ylethoxy)methoxy]ethyl]piperazine
CID 89804189
2-[4-[2-[2-(4-Propylpiperazin-1-yl)ethoxymethoxy]ethyl]piperazin-1-yl]ethanamine
CID 89804217
N-[2-[1,1-bis[2-(2-piperazin-1-ylethylamino)ethoxy]ethoxy]ethyl]-2-piperidin-1-ylethanamine
CID 89804220
1-[2-[1-(2-Piperazin-1-ylethoxy)-1-(2-piperidin-1-ylethoxy)ethoxy]ethyl]piperazine
CID 89804221

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1,1-bis(2-piperazin-1-ylethoxy)ethoxy]ethyl]piperazine?
The IUPAC name of 1-[2-[1,1-bis(2-piperazin-1-ylethoxy)ethoxy]ethyl]piperazine (CID 67951217) is 1-[2-[1,1-bis(2-piperazin-1-ylethoxy)ethoxy]ethyl]piperazine.
What is the SMILES notation for 1-[2-[1,1-bis(2-piperazin-1-ylethoxy)ethoxy]ethyl]piperazine?
The canonical SMILES for 1-[2-[1,1-bis(2-piperazin-1-ylethoxy)ethoxy]ethyl]piperazine is CC(OCCN1CCNCC1)(OCCN1CCNCC1)OCCN1CCNCC1.
What is the InChIKey of 1-[2-[1,1-bis(2-piperazin-1-ylethoxy)ethoxy]ethyl]piperazine?
The InChIKey is ORXVUOPTJRDWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42N6O3/c1-20(27-17-14-24-8-2-21-3-9-24,28-18-15-25-10-4-22-5-11-25)29-19-16-26-12-6-23-7-13-26/h21-23H,2-19H2,1H3.
What are the key properties of 1-[2-[1,1-bis(2-piperazin-1-ylethoxy)ethoxy]ethyl]piperazine?
1-[2-[1,1-bis(2-piperazin-1-ylethoxy)ethoxy]ethyl]piperazine has a molecular weight of 414.60 g/mol, XLogP of -1.57, 12 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1,1-bis(2-piperazin-1-ylethoxy)ethoxy]ethyl]piperazine is sourced from PubChem (CID 67951217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).