1-[5-methoxy-2-(oxan-4-yloxy)phenyl]piperazine

C16H24N2O3 — CID 104707166

IUPAC1-[5-methoxy-2-(oxan-4-yloxy)phenyl]piperazine
SMILESCOc1ccc(OC2CCOCC2)c(N2CCNCC2)c1
InChIInChI=1S/C16H24N2O3/c1-19-14-2-3-16(21-13-4-10-20-11-5-13)15(12-14)18-8-6-17-7-9-18/h2-3,12-13,17H,4-11H2,1H3
InChIKeyQLWWMCFZFIITBN-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.66
Rot. Bonds4

About 1-[5-methoxy-2-(oxan-4-yloxy)phenyl]piperazine

1-[5-methoxy-2-(oxan-4-yloxy)phenyl]piperazine (PubChem CID 104707166) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-[5-methoxy-2-(oxan-4-yloxy)phenyl]piperazine.

Molecular Properties

Compound Name1-[5-methoxy-2-(oxan-4-yloxy)phenyl]piperazine
PubChem CID104707166
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name1-[5-methoxy-2-(oxan-4-yloxy)phenyl]piperazine
SMILESCOc1ccc(OC2CCOCC2)c(N2CCNCC2)c1
InChIInChI=1S/C16H24N2O3/c1-19-14-2-3-16(21-13-4-10-20-11-5-13)15(12-14)18-8-6-17-7-9-18/h2-3,12-13,17H,4-11H2,1H3
InChIKeyQLWWMCFZFIITBN-UHFFFAOYSA-N
XLogP1.66
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(cyclobutylmethoxy)-5-methoxyphenyl]piperazine
CID 104707194
1-[2-methyl-4-(oxan-4-yloxy)phenyl]-1,4-diazepane
CID 83137989
1-[4-(oxan-4-yloxy)phenyl]-1,4-diazepane
CID 63936915
4-[2-(bromomethyl)-4-methoxyphenoxy]oxane
CID 63937253
1-(2-chloro-5-methoxyphenyl)piperazine
CID 18663028
1-[(S)-(4-methoxy-2-methylphenyl)-(oxan-4-yl)methyl]piperazine
CID 171282623
4-(2-bromo-4-methoxyphenoxy)piperidine
CID 56830635
1-[(S)-(2,4-dimethoxyphenyl)-(oxan-4-yl)methyl]piperazine;dihydrochloride
CID 171274767
1-[5-fluoro-2-(oxan-4-yloxy)phenyl]piperidin-4-amine
CID 63936921
1-[4-methoxy-2-(oxan-4-yloxy)phenyl]ethanone
CID 82001609
1-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)piperazine
CID 18918724
1-(2,5-dimethoxyphenyl)-N-methylpiperidin-4-amine
CID 43315071

Frequently Asked Questions

What is the IUPAC name of 1-[5-methoxy-2-(oxan-4-yloxy)phenyl]piperazine?
The IUPAC name of 1-[5-methoxy-2-(oxan-4-yloxy)phenyl]piperazine (CID 104707166) is 1-[5-methoxy-2-(oxan-4-yloxy)phenyl]piperazine.
What is the SMILES notation for 1-[5-methoxy-2-(oxan-4-yloxy)phenyl]piperazine?
The canonical SMILES for 1-[5-methoxy-2-(oxan-4-yloxy)phenyl]piperazine is COc1ccc(OC2CCOCC2)c(N2CCNCC2)c1.
What is the InChIKey of 1-[5-methoxy-2-(oxan-4-yloxy)phenyl]piperazine?
The InChIKey is QLWWMCFZFIITBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-19-14-2-3-16(21-13-4-10-20-11-5-13)15(12-14)18-8-6-17-7-9-18/h2-3,12-13,17H,4-11H2,1H3.
What are the key properties of 1-[5-methoxy-2-(oxan-4-yloxy)phenyl]piperazine?
1-[5-methoxy-2-(oxan-4-yloxy)phenyl]piperazine has a molecular weight of 292.38 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-methoxy-2-(oxan-4-yloxy)phenyl]piperazine is sourced from PubChem (CID 104707166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).