1-ethoxy-4-propan-2-ylpiperazine

C9H20N2O — CID 150580357

IUPAC1-ethoxy-4-propan-2-ylpiperazine
SMILESCCON1CCN(C(C)C)CC1
InChIInChI=1S/C9H20N2O/c1-4-12-11-7-5-10(6-8-11)9(2)3/h9H,4-8H2,1-3H3
InChIKeyINRVLRGWAUYBIJ-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.96
Rot. Bonds3

About 1-ethoxy-4-propan-2-ylpiperazine

1-ethoxy-4-propan-2-ylpiperazine (PubChem CID 150580357) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 1-ethoxy-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-ethoxy-4-propan-2-ylpiperazine
PubChem CID150580357
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name1-ethoxy-4-propan-2-ylpiperazine
SMILESCCON1CCN(C(C)C)CC1
InChIInChI=1S/C9H20N2O/c1-4-12-11-7-5-10(6-8-11)9(2)3/h9H,4-8H2,1-3H3
InChIKeyINRVLRGWAUYBIJ-UHFFFAOYSA-N
XLogP0.96
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 ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-ethoxy-4-propan-2-ylpiperazine with MolForge

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

Launch Full Analysis

Related Compounds

1,4-dimethyl-7-propan-2-yl-1,4,7-triazonane
CID 157390684
1-methyl-4-propan-2-ylpiperazine
CID 7471963
2-(4-propan-2-ylpiperazin-1-yl)ethanol
CID 4739630
1-pentan-3-yl-4-propan-2-yl-1,4-diazepane
CID 168909794
1-(1,3-dimethoxypropan-2-yl)-4-propan-2-ylpiperazine
CID 147502598
2-ethoxy-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one
CID 86990301
butane;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;ethane
CID 168928365
N-[ethoxy-(4-propan-2-ylpiperazin-1-yl)phosphoryl]-N-methylmethanamine
CID 126677693
2-ethoxy-4-(4-propan-2-ylpiperazin-1-yl)butan-1-amine
CID 63069699
1-butan-2-yl-3-propan-2-ylimidazolidine
CID 134599258
ethane;1-propan-2-ylpyrrolidine
CID 167557798
1,4-di(propan-2-yl)piperidine
CID 21303253

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-4-propan-2-ylpiperazine?
The IUPAC name of 1-ethoxy-4-propan-2-ylpiperazine (CID 150580357) is 1-ethoxy-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-ethoxy-4-propan-2-ylpiperazine?
The canonical SMILES for 1-ethoxy-4-propan-2-ylpiperazine is CCON1CCN(C(C)C)CC1.
What is the InChIKey of 1-ethoxy-4-propan-2-ylpiperazine?
The InChIKey is INRVLRGWAUYBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-4-12-11-7-5-10(6-8-11)9(2)3/h9H,4-8H2,1-3H3.
What are the key properties of 1-ethoxy-4-propan-2-ylpiperazine?
1-ethoxy-4-propan-2-ylpiperazine has a molecular weight of 172.27 g/mol, XLogP of 0.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-4-propan-2-ylpiperazine is sourced from PubChem (CID 150580357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).