1-(oxetan-3-yl)-4-[2-(3-propan-2-ylphenoxy)ethyl]piperazine

C18H28N2O2 — CID 176757504

IUPAC1-(oxetan-3-yl)-4-[2-(3-propan-2-ylphenoxy)ethyl]piperazine
SMILESCC(C)c1cccc(OCCN2CCN(C3COC3)CC2)c1
InChIInChI=1S/C18H28N2O2/c1-15(2)16-4-3-5-18(12-16)22-11-10-19-6-8-20(9-7-19)17-13-21-14-17/h3-5,12,15,17H,6-11,13-14H2,1-2H3
InChIKeyLYBKTEMJMHNGQV-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.21
Rot. Bonds6

About 1-(oxetan-3-yl)-4-[2-(3-propan-2-ylphenoxy)ethyl]piperazine

1-(oxetan-3-yl)-4-[2-(3-propan-2-ylphenoxy)ethyl]piperazine (PubChem CID 176757504) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 1-(oxetan-3-yl)-4-[2-(3-propan-2-ylphenoxy)ethyl]piperazine.

Molecular Properties

Compound Name1-(oxetan-3-yl)-4-[2-(3-propan-2-ylphenoxy)ethyl]piperazine
PubChem CID176757504
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name1-(oxetan-3-yl)-4-[2-(3-propan-2-ylphenoxy)ethyl]piperazine
SMILESCC(C)c1cccc(OCCN2CCN(C3COC3)CC2)c1
InChIInChI=1S/C18H28N2O2/c1-15(2)16-4-3-5-18(12-16)22-11-10-19-6-8-20(9-7-19)17-13-21-14-17/h3-5,12,15,17H,6-11,13-14H2,1-2H3
InChIKeyLYBKTEMJMHNGQV-UHFFFAOYSA-N
XLogP2.21
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(oxetan-3-yl)-4-[2-(3-propan-2-ylphenoxy)ethyl]piperazine?
The IUPAC name of 1-(oxetan-3-yl)-4-[2-(3-propan-2-ylphenoxy)ethyl]piperazine (CID 176757504) is 1-(oxetan-3-yl)-4-[2-(3-propan-2-ylphenoxy)ethyl]piperazine.
What is the SMILES notation for 1-(oxetan-3-yl)-4-[2-(3-propan-2-ylphenoxy)ethyl]piperazine?
The canonical SMILES for 1-(oxetan-3-yl)-4-[2-(3-propan-2-ylphenoxy)ethyl]piperazine is CC(C)c1cccc(OCCN2CCN(C3COC3)CC2)c1.
What is the InChIKey of 1-(oxetan-3-yl)-4-[2-(3-propan-2-ylphenoxy)ethyl]piperazine?
The InChIKey is LYBKTEMJMHNGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-15(2)16-4-3-5-18(12-16)22-11-10-19-6-8-20(9-7-19)17-13-21-14-17/h3-5,12,15,17H,6-11,13-14H2,1-2H3.
What are the key properties of 1-(oxetan-3-yl)-4-[2-(3-propan-2-ylphenoxy)ethyl]piperazine?
1-(oxetan-3-yl)-4-[2-(3-propan-2-ylphenoxy)ethyl]piperazine has a molecular weight of 304.43 g/mol, XLogP of 2.21, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxetan-3-yl)-4-[2-(3-propan-2-ylphenoxy)ethyl]piperazine is sourced from PubChem (CID 176757504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).