1-(2-butoxyethyl)-5-methyl-2-propan-2-ylpiperazine

C14H30N2O — CID 64845683

IUPAC1-(2-butoxyethyl)-5-methyl-2-propan-2-ylpiperazine
SMILESCCCCOCCN1CC(C)NCC1C(C)C
InChIInChI=1S/C14H30N2O/c1-5-6-8-17-9-7-16-11-13(4)15-10-14(16)12(2)3/h12-15H,5-11H2,1-4H3
InChIKeyMORRAPLQGXOWHA-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.12
Rot. Bonds7

About 1-(2-butoxyethyl)-5-methyl-2-propan-2-ylpiperazine

1-(2-butoxyethyl)-5-methyl-2-propan-2-ylpiperazine (PubChem CID 64845683) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 1-(2-butoxyethyl)-5-methyl-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-(2-butoxyethyl)-5-methyl-2-propan-2-ylpiperazine
PubChem CID64845683
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name1-(2-butoxyethyl)-5-methyl-2-propan-2-ylpiperazine
SMILESCCCCOCCN1CC(C)NCC1C(C)C
InChIInChI=1S/C14H30N2O/c1-5-6-8-17-9-7-16-11-13(4)15-10-14(16)12(2)3/h12-15H,5-11H2,1-4H3
InChIKeyMORRAPLQGXOWHA-UHFFFAOYSA-N
XLogP2.12
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.12
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-(2-butoxyethyl)-5-tert-butyl-2-propan-2-ylpiperazine
CID 64842412
2,5-di(propan-2-yl)-1-(3-propoxypropyl)piperazine
CID 82947777
2-butan-2-yl-1-butyl-5-methylpiperazine
CID 64846296
1-(2-butoxyethyl)-2-ethyl-5-propan-2-ylpiperazine
CID 64834120
5-tert-butyl-1-[2-(3-methoxypropoxy)ethyl]-2-propan-2-ylpiperazine
CID 103184526
1-but-3-ynyl-5-methyl-2-propan-2-ylpiperazine
CID 64939157
5-methyl-1-(2-piperidin-1-ylethyl)-2-propan-2-ylpiperazine
CID 82245206
5-methyl-1-(2-propoxyethyl)-2-propylpiperazine
CID 106458506
2-butan-2-yl-5-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine
CID 112592031
1-(2-butoxyethyl)-2-(2-methylpropyl)-5-propan-2-ylpiperazine
CID 64838649
1-(cyclobutylmethyl)-5-methyl-2-propan-2-ylpiperazine
CID 64937495
5-methyl-1-[(3-methylcyclopentyl)methyl]-2-propan-2-ylpiperazine
CID 107415594

Frequently Asked Questions

What is the IUPAC name of 1-(2-butoxyethyl)-5-methyl-2-propan-2-ylpiperazine?
The IUPAC name of 1-(2-butoxyethyl)-5-methyl-2-propan-2-ylpiperazine (CID 64845683) is 1-(2-butoxyethyl)-5-methyl-2-propan-2-ylpiperazine.
What is the SMILES notation for 1-(2-butoxyethyl)-5-methyl-2-propan-2-ylpiperazine?
The canonical SMILES for 1-(2-butoxyethyl)-5-methyl-2-propan-2-ylpiperazine is CCCCOCCN1CC(C)NCC1C(C)C.
What is the InChIKey of 1-(2-butoxyethyl)-5-methyl-2-propan-2-ylpiperazine?
The InChIKey is MORRAPLQGXOWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-5-6-8-17-9-7-16-11-13(4)15-10-14(16)12(2)3/h12-15H,5-11H2,1-4H3.
What are the key properties of 1-(2-butoxyethyl)-5-methyl-2-propan-2-ylpiperazine?
1-(2-butoxyethyl)-5-methyl-2-propan-2-ylpiperazine has a molecular weight of 242.41 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butoxyethyl)-5-methyl-2-propan-2-ylpiperazine is sourced from PubChem (CID 64845683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).