1-[2-(2-methylpropoxy)ethyl]-4-(5-methyl-1H-pyrazol-3-yl)piperazine

C14H26N4O — CID 100735344

IUPAC1-[2-(2-methylpropoxy)ethyl]-4-(5-methyl-1H-pyrazol-3-yl)piperazine
SMILESCc1cc(N2CCN(CCOCC(C)C)CC2)n[nH]1
InChIInChI=1S/C14H26N4O/c1-12(2)11-19-9-8-17-4-6-18(7-5-17)14-10-13(3)15-16-14/h10,12H,4-9,11H2,1-3H3,(H,15,16)
InChIKeyJYPDDDKQVOSKKA-UHFFFAOYSA-N
MW266.39 g/mol
LogP1.51
Rot. Bonds6

About 1-[2-(2-methylpropoxy)ethyl]-4-(5-methyl-1H-pyrazol-3-yl)piperazine

1-[2-(2-methylpropoxy)ethyl]-4-(5-methyl-1H-pyrazol-3-yl)piperazine (PubChem CID 100735344) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 1-[2-(2-methylpropoxy)ethyl]-4-(5-methyl-1H-pyrazol-3-yl)piperazine.

Molecular Properties

Compound Name1-[2-(2-methylpropoxy)ethyl]-4-(5-methyl-1H-pyrazol-3-yl)piperazine
PubChem CID100735344
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name1-[2-(2-methylpropoxy)ethyl]-4-(5-methyl-1H-pyrazol-3-yl)piperazine
SMILESCc1cc(N2CCN(CCOCC(C)C)CC2)n[nH]1
InChIInChI=1S/C14H26N4O/c1-12(2)11-19-9-8-17-4-6-18(7-5-17)14-10-13(3)15-16-14/h10,12H,4-9,11H2,1-3H3,(H,15,16)
InChIKeyJYPDDDKQVOSKKA-UHFFFAOYSA-N
XLogP1.51
TPSA44.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 51.51
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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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylpropoxy)ethyl]-4-(5-methyl-1H-pyrazol-3-yl)piperazine?
The IUPAC name of 1-[2-(2-methylpropoxy)ethyl]-4-(5-methyl-1H-pyrazol-3-yl)piperazine (CID 100735344) is 1-[2-(2-methylpropoxy)ethyl]-4-(5-methyl-1H-pyrazol-3-yl)piperazine.
What is the SMILES notation for 1-[2-(2-methylpropoxy)ethyl]-4-(5-methyl-1H-pyrazol-3-yl)piperazine?
The canonical SMILES for 1-[2-(2-methylpropoxy)ethyl]-4-(5-methyl-1H-pyrazol-3-yl)piperazine is Cc1cc(N2CCN(CCOCC(C)C)CC2)n[nH]1.
What is the InChIKey of 1-[2-(2-methylpropoxy)ethyl]-4-(5-methyl-1H-pyrazol-3-yl)piperazine?
The InChIKey is JYPDDDKQVOSKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-12(2)11-19-9-8-17-4-6-18(7-5-17)14-10-13(3)15-16-14/h10,12H,4-9,11H2,1-3H3,(H,15,16).
What are the key properties of 1-[2-(2-methylpropoxy)ethyl]-4-(5-methyl-1H-pyrazol-3-yl)piperazine?
1-[2-(2-methylpropoxy)ethyl]-4-(5-methyl-1H-pyrazol-3-yl)piperazine has a molecular weight of 266.39 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylpropoxy)ethyl]-4-(5-methyl-1H-pyrazol-3-yl)piperazine is sourced from PubChem (CID 100735344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).