1-(1-methoxypropan-2-yl)-4-methylpiperazine

C9H20N2O — CID 20649673

IUPAC1-(1-methoxypropan-2-yl)-4-methylpiperazine
SMILESCOCC(C)N1CCN(C)CC1
InChIInChI=1S/C9H20N2O/c1-9(8-12-3)11-6-4-10(2)5-7-11/h9H,4-8H2,1-3H3
InChIKeyMJZJKTRLTQWTEX-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.27
Rot. Bonds3

About 1-(1-methoxypropan-2-yl)-4-methylpiperazine

1-(1-methoxypropan-2-yl)-4-methylpiperazine (PubChem CID 20649673) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 1-(1-methoxypropan-2-yl)-4-methylpiperazine.

Molecular Properties

Compound Name1-(1-methoxypropan-2-yl)-4-methylpiperazine
PubChem CID20649673
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name1-(1-methoxypropan-2-yl)-4-methylpiperazine
SMILESCOCC(C)N1CCN(C)CC1
InChIInChI=1S/C9H20N2O/c1-9(8-12-3)11-6-4-10(2)5-7-11/h9H,4-8H2,1-3H3
InChIKeyMJZJKTRLTQWTEX-UHFFFAOYSA-N
XLogP0.27
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(1-methoxypropan-2-yl)-4-methylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxypropan-2-yl)-4-methylpiperazine?
The IUPAC name of 1-(1-methoxypropan-2-yl)-4-methylpiperazine (CID 20649673) is 1-(1-methoxypropan-2-yl)-4-methylpiperazine.
What is the SMILES notation for 1-(1-methoxypropan-2-yl)-4-methylpiperazine?
The canonical SMILES for 1-(1-methoxypropan-2-yl)-4-methylpiperazine is COCC(C)N1CCN(C)CC1.
What is the InChIKey of 1-(1-methoxypropan-2-yl)-4-methylpiperazine?
The InChIKey is MJZJKTRLTQWTEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-9(8-12-3)11-6-4-10(2)5-7-11/h9H,4-8H2,1-3H3.
What are the key properties of 1-(1-methoxypropan-2-yl)-4-methylpiperazine?
1-(1-methoxypropan-2-yl)-4-methylpiperazine has a molecular weight of 172.27 g/mol, XLogP of 0.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxypropan-2-yl)-4-methylpiperazine is sourced from PubChem (CID 20649673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).