1-(1-methoxy-2-methylpropan-2-yl)piperazine

C9H20N2O — CID 57420347

IUPAC1-(1-methoxy-2-methylpropan-2-yl)piperazine
SMILESCOCC(C)(C)N1CCNCC1
InChIInChI=1S/C9H20N2O/c1-9(2,8-12-3)11-6-4-10-5-7-11/h10H,4-8H2,1-3H3
InChIKeyGXIKUKNOGCVDIN-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.32
Rot. Bonds3

About 1-(1-methoxy-2-methylpropan-2-yl)piperazine

1-(1-methoxy-2-methylpropan-2-yl)piperazine (PubChem CID 57420347) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 1-(1-methoxy-2-methylpropan-2-yl)piperazine.

Molecular Properties

Compound Name1-(1-methoxy-2-methylpropan-2-yl)piperazine
PubChem CID57420347
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name1-(1-methoxy-2-methylpropan-2-yl)piperazine
SMILESCOCC(C)(C)N1CCNCC1
InChIInChI=1S/C9H20N2O/c1-9(2,8-12-3)11-6-4-10-5-7-11/h10H,4-8H2,1-3H3
InChIKeyGXIKUKNOGCVDIN-UHFFFAOYSA-N
XLogP0.32
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxy-2-methylpropan-2-yl)piperazine?
The IUPAC name of 1-(1-methoxy-2-methylpropan-2-yl)piperazine (CID 57420347) is 1-(1-methoxy-2-methylpropan-2-yl)piperazine.
What is the SMILES notation for 1-(1-methoxy-2-methylpropan-2-yl)piperazine?
The canonical SMILES for 1-(1-methoxy-2-methylpropan-2-yl)piperazine is COCC(C)(C)N1CCNCC1.
What is the InChIKey of 1-(1-methoxy-2-methylpropan-2-yl)piperazine?
The InChIKey is GXIKUKNOGCVDIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-9(2,8-12-3)11-6-4-10-5-7-11/h10H,4-8H2,1-3H3.
What are the key properties of 1-(1-methoxy-2-methylpropan-2-yl)piperazine?
1-(1-methoxy-2-methylpropan-2-yl)piperazine has a molecular weight of 172.27 g/mol, XLogP of 0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxy-2-methylpropan-2-yl)piperazine is sourced from PubChem (CID 57420347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).