5-butan-2-yl-1-[2-(3-methoxypropoxy)ethyl]-2-methylpiperazine

C15H32N2O2 — CID 103184537

IUPAC5-butan-2-yl-1-[2-(3-methoxypropoxy)ethyl]-2-methylpiperazine
SMILESCCC(C)C1CN(CCOCCCOC)C(C)CN1
InChIInChI=1S/C15H32N2O2/c1-5-13(2)15-12-17(14(3)11-16-15)7-10-19-9-6-8-18-4/h13-16H,5-12H2,1-4H3
InChIKeyFXYREMOJWLDWDW-UHFFFAOYSA-N
MW272.43 g/mol
LogP1.75
Rot. Bonds9

About 5-butan-2-yl-1-[2-(3-methoxypropoxy)ethyl]-2-methylpiperazine

5-butan-2-yl-1-[2-(3-methoxypropoxy)ethyl]-2-methylpiperazine (PubChem CID 103184537) has the molecular formula C15H32N2O2 and a molecular weight of 272.43 g/mol. Its IUPAC name is 5-butan-2-yl-1-[2-(3-methoxypropoxy)ethyl]-2-methylpiperazine.

Molecular Properties

Compound Name5-butan-2-yl-1-[2-(3-methoxypropoxy)ethyl]-2-methylpiperazine
PubChem CID103184537
Molecular FormulaC15H32N2O2
Molecular Weight272.43 g/mol
Exact Mass272.25
IUPAC Name5-butan-2-yl-1-[2-(3-methoxypropoxy)ethyl]-2-methylpiperazine
SMILESCCC(C)C1CN(CCOCCCOC)C(C)CN1
InChIInChI=1S/C15H32N2O2/c1-5-13(2)15-12-17(14(3)11-16-15)7-10-19-9-6-8-18-4/h13-16H,5-12H2,1-4H3
InChIKeyFXYREMOJWLDWDW-UHFFFAOYSA-N
XLogP1.75
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.43
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-butan-2-yl-2-cyclopropyl-1-[3-(2-methoxyethoxy)propyl]piperazine
CID 103414273
5-cyclopropyl-1-[2-(2-methoxyethoxy)ethyl]-2-methylpiperazine
CID 64862014
1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-7-methyl-3-propan-2-yl-1,4-diazepane
CID 104567944
3-ethyl-1-[2-(3-methoxypropoxy)ethyl]-7-methyl-1,4-diazepane
CID 103184619
5-butan-2-yl-2-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]piperazine
CID 64936762
5-butan-2-yl-2-tert-butyl-1-(3-ethoxypropyl)piperazine
CID 65177639
3-butan-2-yl-1-[3-(2-methoxyethoxy)propyl]-1,4-diazepane
CID 103414469
5-butan-2-yl-2-tert-butyl-1-[2-(2-methylpropoxy)ethyl]piperazine
CID 106458682
2-butan-2-yl-5-cyclopropyl-1-[2-(2-methoxyethoxy)ethyl]piperazine
CID 64861848
5-butan-2-yl-2-methyl-1-[(3-methylcyclopentyl)methyl]piperazine
CID 107415555
1-[3-(cyclopropylmethoxy)propyl]-2-methyl-5-propan-2-ylpiperazine
CID 114097844
5-butan-2-yl-2-methyl-1-(2-prop-2-enylsulfanylethyl)piperazine
CID 114188253

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-1-[2-(3-methoxypropoxy)ethyl]-2-methylpiperazine?
The IUPAC name of 5-butan-2-yl-1-[2-(3-methoxypropoxy)ethyl]-2-methylpiperazine (CID 103184537) is 5-butan-2-yl-1-[2-(3-methoxypropoxy)ethyl]-2-methylpiperazine.
What is the SMILES notation for 5-butan-2-yl-1-[2-(3-methoxypropoxy)ethyl]-2-methylpiperazine?
The canonical SMILES for 5-butan-2-yl-1-[2-(3-methoxypropoxy)ethyl]-2-methylpiperazine is CCC(C)C1CN(CCOCCCOC)C(C)CN1.
What is the InChIKey of 5-butan-2-yl-1-[2-(3-methoxypropoxy)ethyl]-2-methylpiperazine?
The InChIKey is FXYREMOJWLDWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O2/c1-5-13(2)15-12-17(14(3)11-16-15)7-10-19-9-6-8-18-4/h13-16H,5-12H2,1-4H3.
What are the key properties of 5-butan-2-yl-1-[2-(3-methoxypropoxy)ethyl]-2-methylpiperazine?
5-butan-2-yl-1-[2-(3-methoxypropoxy)ethyl]-2-methylpiperazine has a molecular weight of 272.43 g/mol, XLogP of 1.75, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-1-[2-(3-methoxypropoxy)ethyl]-2-methylpiperazine is sourced from PubChem (CID 103184537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).