1-[2-[2-(2,2-diethylpiperazin-1-yl)ethoxy]ethyl]-2,2-diethylpiperazine

C20H42N4O — CID 139768660

IUPAC1-[2-[2-(2,2-diethylpiperazin-1-yl)ethoxy]ethyl]-2,2-diethylpiperazine
SMILESCCC1(CC)CNCCN1CCOCCN1CCNCC1(CC)CC
InChIInChI=1S/C20H42N4O/c1-5-19(6-2)17-21-9-11-23(19)13-15-25-16-14-24-12-10-22-18-20(24,7-3)8-4/h21-22H,5-18H2,1-4H3
InChIKeyJAVSLBMGCPRYMA-UHFFFAOYSA-N
MW354.58 g/mol
LogP1.93
Rot. Bonds10

About 1-[2-[2-(2,2-diethylpiperazin-1-yl)ethoxy]ethyl]-2,2-diethylpiperazine

1-[2-[2-(2,2-diethylpiperazin-1-yl)ethoxy]ethyl]-2,2-diethylpiperazine (PubChem CID 139768660) has the molecular formula C20H42N4O and a molecular weight of 354.58 g/mol. Its IUPAC name is 1-[2-[2-(2,2-diethylpiperazin-1-yl)ethoxy]ethyl]-2,2-diethylpiperazine.

Molecular Properties

Compound Name1-[2-[2-(2,2-diethylpiperazin-1-yl)ethoxy]ethyl]-2,2-diethylpiperazine
PubChem CID139768660
Molecular FormulaC20H42N4O
Molecular Weight354.58 g/mol
Exact Mass354.34
IUPAC Name1-[2-[2-(2,2-diethylpiperazin-1-yl)ethoxy]ethyl]-2,2-diethylpiperazine
SMILESCCC1(CC)CNCCN1CCOCCN1CCNCC1(CC)CC
InChIInChI=1S/C20H42N4O/c1-5-19(6-2)17-21-9-11-23(19)13-15-25-16-14-24-12-10-22-18-20(24,7-3)8-4/h21-22H,5-18H2,1-4H3
InChIKeyJAVSLBMGCPRYMA-UHFFFAOYSA-N
XLogP1.93
TPSA39.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.58
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(4-Methylpiperidin-4-yl)morpholine
CID 12410239
4-[1-(3,9-Diazaspiro[5.5]undecan-3-yl)-2-methylpropan-2-yl]morpholine
CID 56894471
(1-Methyl-4-(morpholin-4-yl)piperidin-4-yl)methanamine
CID 9161416
7-Methyl-11-[2-(4-morpholinyl)ethyl]-3,7,11-triazaspiro[5.6]dodecane dihydrochloride
CID 131906536
3-[2-[(6,6-Dimethyl-4-propan-2-ylpiperazin-2-yl)methoxy]ethyl]-5-(fluoromethyl)-3-methyl-1-propan-2-ylpiperazine
CID 177147453
Propylpiperazinyl-ethyl ether
CID 129817227
4-(Tert-butylamino)-1-(3-morpholin-4-ylpropyl)piperidine-4-carbonitrile
CID 22972950
4-[3-(Aminomethyl)pentan-3-yl]morpholine
CID 24692881
3,5-Dimethyl-2-(4-methylpiperidin-1-yl)morpholine
CID 57293811
2-morpholin-4-yl-N-(piperidin-4-ylmethyl)ethanamine
CID 79018781
3-(Morpholin-4-ylmethyl)pentan-3-amine
CID 79814309
1-Methyl-4-(morpholin-4-ylmethyl)piperidin-4-amine
CID 84734784

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2,2-diethylpiperazin-1-yl)ethoxy]ethyl]-2,2-diethylpiperazine?
The IUPAC name of 1-[2-[2-(2,2-diethylpiperazin-1-yl)ethoxy]ethyl]-2,2-diethylpiperazine (CID 139768660) is 1-[2-[2-(2,2-diethylpiperazin-1-yl)ethoxy]ethyl]-2,2-diethylpiperazine.
What is the SMILES notation for 1-[2-[2-(2,2-diethylpiperazin-1-yl)ethoxy]ethyl]-2,2-diethylpiperazine?
The canonical SMILES for 1-[2-[2-(2,2-diethylpiperazin-1-yl)ethoxy]ethyl]-2,2-diethylpiperazine is CCC1(CC)CNCCN1CCOCCN1CCNCC1(CC)CC.
What is the InChIKey of 1-[2-[2-(2,2-diethylpiperazin-1-yl)ethoxy]ethyl]-2,2-diethylpiperazine?
The InChIKey is JAVSLBMGCPRYMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42N4O/c1-5-19(6-2)17-21-9-11-23(19)13-15-25-16-14-24-12-10-22-18-20(24,7-3)8-4/h21-22H,5-18H2,1-4H3.
What are the key properties of 1-[2-[2-(2,2-diethylpiperazin-1-yl)ethoxy]ethyl]-2,2-diethylpiperazine?
1-[2-[2-(2,2-diethylpiperazin-1-yl)ethoxy]ethyl]-2,2-diethylpiperazine has a molecular weight of 354.58 g/mol, XLogP of 1.93, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2,2-diethylpiperazin-1-yl)ethoxy]ethyl]-2,2-diethylpiperazine is sourced from PubChem (CID 139768660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).