2,5-di(propan-2-yl)-1-(3-propoxypropyl)piperazine

C16H34N2O — CID 82947777

IUPAC2,5-di(propan-2-yl)-1-(3-propoxypropyl)piperazine
SMILESCCCOCCCN1CC(C(C)C)NCC1C(C)C
InChIInChI=1S/C16H34N2O/c1-6-9-19-10-7-8-18-12-15(13(2)3)17-11-16(18)14(4)5/h13-17H,6-12H2,1-5H3
InChIKeyMYGREXSHHRUXEK-UHFFFAOYSA-N
MW270.46 g/mol
LogP2.76
Rot. Bonds8

About 2,5-di(propan-2-yl)-1-(3-propoxypropyl)piperazine

2,5-di(propan-2-yl)-1-(3-propoxypropyl)piperazine (PubChem CID 82947777) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is 2,5-di(propan-2-yl)-1-(3-propoxypropyl)piperazine.

Molecular Properties

Compound Name2,5-di(propan-2-yl)-1-(3-propoxypropyl)piperazine
PubChem CID82947777
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC Name2,5-di(propan-2-yl)-1-(3-propoxypropyl)piperazine
SMILESCCCOCCCN1CC(C(C)C)NCC1C(C)C
InChIInChI=1S/C16H34N2O/c1-6-9-19-10-7-8-18-12-15(13(2)3)17-11-16(18)14(4)5/h13-17H,6-12H2,1-5H3
InChIKeyMYGREXSHHRUXEK-UHFFFAOYSA-N
XLogP2.76
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(2-methoxyethoxy)propyl]-5-propan-2-yl-2-propylpiperazine
CID 103414058
1-(2-butoxyethyl)-5-methyl-2-propan-2-ylpiperazine
CID 64845683
1-(2-cyclopentyloxyethyl)-2,5-di(propan-2-yl)piperazine
CID 64938773
1-(2-butoxyethyl)-2-ethyl-5-propan-2-ylpiperazine
CID 64834120
2-butan-2-yl-1-(2-ethoxyethyl)-5-propan-2-ylpiperazine
CID 64839227
2,5-di(propan-2-yl)-1-(2-propylsulfonylethyl)piperazine
CID 106732887
5-ethyl-5-methyl-2-propan-2-yl-1-(3-propoxypropyl)piperazine
CID 82947083
1-(2-butoxyethyl)-5-tert-butyl-2-propan-2-ylpiperazine
CID 64842412
1-(2-butoxyethyl)-2-(2-methylpropyl)-5-propan-2-ylpiperazine
CID 64838649
1-[3-(cyclopropylmethoxy)propyl]-2-methyl-5-propan-2-ylpiperazine
CID 114097844
1-(2-piperidin-1-ylethyl)-2,5-di(propan-2-yl)piperazine
CID 82249272
1-(3-ethoxypropyl)-2-phenyl-5-propan-2-ylpiperazine
CID 64953087

Frequently Asked Questions

What is the IUPAC name of 2,5-di(propan-2-yl)-1-(3-propoxypropyl)piperazine?
The IUPAC name of 2,5-di(propan-2-yl)-1-(3-propoxypropyl)piperazine (CID 82947777) is 2,5-di(propan-2-yl)-1-(3-propoxypropyl)piperazine.
What is the SMILES notation for 2,5-di(propan-2-yl)-1-(3-propoxypropyl)piperazine?
The canonical SMILES for 2,5-di(propan-2-yl)-1-(3-propoxypropyl)piperazine is CCCOCCCN1CC(C(C)C)NCC1C(C)C.
What is the InChIKey of 2,5-di(propan-2-yl)-1-(3-propoxypropyl)piperazine?
The InChIKey is MYGREXSHHRUXEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-6-9-19-10-7-8-18-12-15(13(2)3)17-11-16(18)14(4)5/h13-17H,6-12H2,1-5H3.
What are the key properties of 2,5-di(propan-2-yl)-1-(3-propoxypropyl)piperazine?
2,5-di(propan-2-yl)-1-(3-propoxypropyl)piperazine has a molecular weight of 270.46 g/mol, XLogP of 2.76, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-di(propan-2-yl)-1-(3-propoxypropyl)piperazine is sourced from PubChem (CID 82947777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).