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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Related Compounds

1-methyl-4-[2-(3-propan-2-ylphenoxy)ethyl]piperazine
CID 59135331
1-[2-(3-propan-2-ylphenoxy)ethyl]pyrrolidine
CID 869541
4-[3-(3-propan-2-ylphenoxy)propyl]morpholine
CID 42562888
4-[2-[4-(oxetan-3-yl)piperazin-1-yl]ethoxy]pyridin-2-amine
CID 155587706
1-[3-(2-morpholin-4-ylethoxy)phenyl]ethanol
CID 43504270
N-ethyl-1-[3-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]ethanamine
CID 82888041
(1R)-1-[3-(2-pyrrolidin-1-ylethoxy)phenyl]ethanol
CID 78934419
1-propan-2-yl-3-[3-(3-propan-2-ylphenoxy)propoxy]benzene
CID 2426201
ethane;N-methyl-N-(2-morpholin-4-ylethyl)-3-propan-2-ylaniline;4-[2-(3-propan-2-ylphenoxy)ethyl]morpholine;1-[2-(3-propan-2-ylphenoxy)ethyl]piperidine
CID 167535418
N-methyl-1-[3-(2-pyrrolidin-1-ylethoxy)phenyl]ethanamine
CID 60883623
2-methyl-1-[3-(3-propan-2-ylphenoxy)propyl]pyrrolidine
CID 91223187
2-(3-propan-2-ylphenoxy)ethanethiol
CID 21131503

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).