1-[3-(2,6-dimethoxyphenoxy)propyl]-4-methylpiperazine

C16H26N2O3 — CID 91276351

IUPAC1-[3-(2,6-dimethoxyphenoxy)propyl]-4-methylpiperazine
SMILESCOc1cccc(OC)c1OCCCN1CCN(C)CC1
InChIInChI=1S/C16H26N2O3/c1-17-9-11-18(12-10-17)8-5-13-21-16-14(19-2)6-4-7-15(16)20-3/h4,6-7H,5,8-13H2,1-3H3
InChIKeyOKJSSDVOUMYWSJ-UHFFFAOYSA-N
MW294.39 g/mol
LogP1.72
Rot. Bonds7

About 1-[3-(2,6-dimethoxyphenoxy)propyl]-4-methylpiperazine

1-[3-(2,6-dimethoxyphenoxy)propyl]-4-methylpiperazine (PubChem CID 91276351) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is 1-[3-(2,6-dimethoxyphenoxy)propyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[3-(2,6-dimethoxyphenoxy)propyl]-4-methylpiperazine
PubChem CID91276351
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name1-[3-(2,6-dimethoxyphenoxy)propyl]-4-methylpiperazine
SMILESCOc1cccc(OC)c1OCCCN1CCN(C)CC1
InChIInChI=1S/C16H26N2O3/c1-17-9-11-18(12-10-17)8-5-13-21-16-14(19-2)6-4-7-15(16)20-3/h4,6-7H,5,8-13H2,1-3H3
InChIKeyOKJSSDVOUMYWSJ-UHFFFAOYSA-N
XLogP1.72
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-(2-fluoro-6-methoxyphenoxy)propyl]pyrrolidine
CID 135155342
4-[3-[3-methoxy-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]propyl]morpholine
CID 170870699
3-methoxy-2-[4-(4-methylpiperazin-1-yl)butoxy]benzaldehyde;oxalic acid
CID 2951012
1-[3-[3-methoxy-2-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]propyl]-4-methylpiperazine
CID 170863973
(2S,6S)-4-[3-(2,6-dimethoxyphenoxy)propyl]-2,6-dimethylmorpholine
CID 2181813
(2R,6R)-4-[3-(2,6-dimethoxyphenoxy)propyl]-2,6-dimethylmorpholine
CID 2181811
1-[2-(2,6-dimethoxyphenoxy)ethyl]piperidin-4-one
CID 39379363
3-[4-[(3-methoxy-2-propoxyphenyl)methyl]piperazin-1-yl]propan-1-amine
CID 54856112
1-[3-(2-methoxy-6-prop-2-enylphenoxy)propyl]piperazine
CID 146681529
1-[3-[2-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]propyl]-4-methylpiperazine
CID 170863705
4-(2-fluorophenoxy)-7-methoxy-6-[3-(4-methylpiperazin-1-yl)propoxy]quinoline
CID 141291334
3,4-dimethoxy-5-[3-(4-methylpiperazin-1-yl)propoxy]benzaldehyde
CID 10496079

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,6-dimethoxyphenoxy)propyl]-4-methylpiperazine?
The IUPAC name of 1-[3-(2,6-dimethoxyphenoxy)propyl]-4-methylpiperazine (CID 91276351) is 1-[3-(2,6-dimethoxyphenoxy)propyl]-4-methylpiperazine.
What is the SMILES notation for 1-[3-(2,6-dimethoxyphenoxy)propyl]-4-methylpiperazine?
The canonical SMILES for 1-[3-(2,6-dimethoxyphenoxy)propyl]-4-methylpiperazine is COc1cccc(OC)c1OCCCN1CCN(C)CC1.
What is the InChIKey of 1-[3-(2,6-dimethoxyphenoxy)propyl]-4-methylpiperazine?
The InChIKey is OKJSSDVOUMYWSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-17-9-11-18(12-10-17)8-5-13-21-16-14(19-2)6-4-7-15(16)20-3/h4,6-7H,5,8-13H2,1-3H3.
What are the key properties of 1-[3-(2,6-dimethoxyphenoxy)propyl]-4-methylpiperazine?
1-[3-(2,6-dimethoxyphenoxy)propyl]-4-methylpiperazine has a molecular weight of 294.39 g/mol, XLogP of 1.72, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,6-dimethoxyphenoxy)propyl]-4-methylpiperazine is sourced from PubChem (CID 91276351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).