1-[2-[2-(2,2-dimethylpiperazin-1-yl)ethoxy]ethyl]-2,2-dimethylpiperazine

C16H34N4O — CID 139768655

IUPAC1-[2-[2-(2,2-dimethylpiperazin-1-yl)ethoxy]ethyl]-2,2-dimethylpiperazine
SMILESCC1(C)CNCCN1CCOCCN1CCNCC1(C)C
InChIInChI=1S/C16H34N4O/c1-15(2)13-17-5-7-19(15)9-11-21-12-10-20-8-6-18-14-16(20,3)4/h17-18H,5-14H2,1-4H3
InChIKeyQIWHABCSVXCIAL-UHFFFAOYSA-N
MW298.48 g/mol
LogP0.37
Rot. Bonds6

About 1-[2-[2-(2,2-dimethylpiperazin-1-yl)ethoxy]ethyl]-2,2-dimethylpiperazine

1-[2-[2-(2,2-dimethylpiperazin-1-yl)ethoxy]ethyl]-2,2-dimethylpiperazine (PubChem CID 139768655) has the molecular formula C16H34N4O and a molecular weight of 298.48 g/mol. Its IUPAC name is 1-[2-[2-(2,2-dimethylpiperazin-1-yl)ethoxy]ethyl]-2,2-dimethylpiperazine.

Molecular Properties

Compound Name1-[2-[2-(2,2-dimethylpiperazin-1-yl)ethoxy]ethyl]-2,2-dimethylpiperazine
PubChem CID139768655
Molecular FormulaC16H34N4O
Molecular Weight298.48 g/mol
Exact Mass298.27
IUPAC Name1-[2-[2-(2,2-dimethylpiperazin-1-yl)ethoxy]ethyl]-2,2-dimethylpiperazine
SMILESCC1(C)CNCCN1CCOCCN1CCNCC1(C)C
InChIInChI=1S/C16H34N4O/c1-15(2)13-17-5-7-19(15)9-11-21-12-10-20-8-6-18-14-16(20,3)4/h17-18H,5-14H2,1-4H3
InChIKeyQIWHABCSVXCIAL-UHFFFAOYSA-N
XLogP0.37
TPSA39.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.48
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[2-[2-(2,2-dimethylpiperazin-1-yl)ethoxy]ethyl]-2,2-dimethylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Methyl[2-methyl-1-(morpholin-4-yl)propan-2-yl]amine
CID 59535411
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
1-(2-Methoxyethyl)-3,3-dimethylpiperazine
CID 64833037
2-methyl-N-(2-morpholin-4-ylethyl)propan-2-amine
CID 21030109
1-Methyl-4-propylpiperazine;morpholine
CID 21908746
4-Methyl-3-(piperazinylmethyl)morpholine
CID 23079676
2-methyl-N-(2-morpholin-4-ylethyl)butan-2-amine
CID 28565482
2-methyl-N-(2-methylpropyl)-2-morpholin-4-ylpropan-1-amine
CID 28643206
2-methyl-2-morpholin-4-yl-N-propan-2-ylpropan-1-amine
CID 28643322
N-butyl-2-methyl-2-morpholin-4-ylpropan-1-amine
CID 28643360

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2,2-dimethylpiperazin-1-yl)ethoxy]ethyl]-2,2-dimethylpiperazine?
The IUPAC name of 1-[2-[2-(2,2-dimethylpiperazin-1-yl)ethoxy]ethyl]-2,2-dimethylpiperazine (CID 139768655) is 1-[2-[2-(2,2-dimethylpiperazin-1-yl)ethoxy]ethyl]-2,2-dimethylpiperazine.
What is the SMILES notation for 1-[2-[2-(2,2-dimethylpiperazin-1-yl)ethoxy]ethyl]-2,2-dimethylpiperazine?
The canonical SMILES for 1-[2-[2-(2,2-dimethylpiperazin-1-yl)ethoxy]ethyl]-2,2-dimethylpiperazine is CC1(C)CNCCN1CCOCCN1CCNCC1(C)C.
What is the InChIKey of 1-[2-[2-(2,2-dimethylpiperazin-1-yl)ethoxy]ethyl]-2,2-dimethylpiperazine?
The InChIKey is QIWHABCSVXCIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N4O/c1-15(2)13-17-5-7-19(15)9-11-21-12-10-20-8-6-18-14-16(20,3)4/h17-18H,5-14H2,1-4H3.
What are the key properties of 1-[2-[2-(2,2-dimethylpiperazin-1-yl)ethoxy]ethyl]-2,2-dimethylpiperazine?
1-[2-[2-(2,2-dimethylpiperazin-1-yl)ethoxy]ethyl]-2,2-dimethylpiperazine has a molecular weight of 298.48 g/mol, XLogP of 0.37, 6 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-dimethylpiperazin-1-yl)ethoxy]ethyl]-2,2-dimethylpiperazine is sourced from PubChem (CID 139768655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).