1-[1-(2-methoxy-4,5-dimethylphenyl)propan-2-yl]piperazine

C16H26N2O — CID 82302972

IUPAC1-[1-(2-methoxy-4,5-dimethylphenyl)propan-2-yl]piperazine
SMILESCOc1cc(C)c(C)cc1CC(C)N1CCNCC1
InChIInChI=1S/C16H26N2O/c1-12-9-15(16(19-4)10-13(12)2)11-14(3)18-7-5-17-6-8-18/h9-10,14,17H,5-8,11H2,1-4H3
InChIKeyFLOAHQDEJAYAMB-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.15
Rot. Bonds4

About 1-[1-(2-methoxy-4,5-dimethylphenyl)propan-2-yl]piperazine

1-[1-(2-methoxy-4,5-dimethylphenyl)propan-2-yl]piperazine (PubChem CID 82302972) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-[1-(2-methoxy-4,5-dimethylphenyl)propan-2-yl]piperazine.

Molecular Properties

Compound Name1-[1-(2-methoxy-4,5-dimethylphenyl)propan-2-yl]piperazine
PubChem CID82302972
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-[1-(2-methoxy-4,5-dimethylphenyl)propan-2-yl]piperazine
SMILESCOc1cc(C)c(C)cc1CC(C)N1CCNCC1
InChIInChI=1S/C16H26N2O/c1-12-9-15(16(19-4)10-13(12)2)11-14(3)18-7-5-17-6-8-18/h9-10,14,17H,5-8,11H2,1-4H3
InChIKeyFLOAHQDEJAYAMB-UHFFFAOYSA-N
XLogP2.15
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(4-methoxy-2,5-dimethylphenyl)propan-2-yl]piperazine
CID 82302982
1-[1-(5-tert-butyl-2-methoxyphenyl)propan-2-yl]piperazine
CID 82255612
1-[1-(2,5-dimethylphenyl)propan-2-yl]piperazine
CID 82289927
2-methoxy-5-(2-piperazin-1-ylpropyl)phenol
CID 82024247
1-[1-(2-methoxy-4,5-dimethylphenyl)ethyl]-1,4-diazepane
CID 82302974
1-[(1R)-1-(2,6-dimethoxy-4-methylphenyl)-3-methylbutyl]piperazine
CID 171296585
4-(4-methoxy-2,5-dimethylphenyl)-3-methyl-1-piperazin-1-ylbutan-1-one
CID 83927800
1-[(1R)-1-(2,6-dimethoxy-4-methylphenyl)ethyl]piperazine
CID 171296555
2-(4-methoxy-2,5-dimethylphenyl)-2-piperazin-1-ylethanol
CID 82303827
1-[1-(2,4-dichlorophenyl)propan-2-yl]piperazine
CID 82255584
1-[1-(2-methoxy-4,6-dimethylphenyl)ethyl]piperazine
CID 82498846
3-(2-piperazin-1-ylpropyl)-1H-pyridin-2-one
CID 83890200

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methoxy-4,5-dimethylphenyl)propan-2-yl]piperazine?
The IUPAC name of 1-[1-(2-methoxy-4,5-dimethylphenyl)propan-2-yl]piperazine (CID 82302972) is 1-[1-(2-methoxy-4,5-dimethylphenyl)propan-2-yl]piperazine.
What is the SMILES notation for 1-[1-(2-methoxy-4,5-dimethylphenyl)propan-2-yl]piperazine?
The canonical SMILES for 1-[1-(2-methoxy-4,5-dimethylphenyl)propan-2-yl]piperazine is COc1cc(C)c(C)cc1CC(C)N1CCNCC1.
What is the InChIKey of 1-[1-(2-methoxy-4,5-dimethylphenyl)propan-2-yl]piperazine?
The InChIKey is FLOAHQDEJAYAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12-9-15(16(19-4)10-13(12)2)11-14(3)18-7-5-17-6-8-18/h9-10,14,17H,5-8,11H2,1-4H3.
What are the key properties of 1-[1-(2-methoxy-4,5-dimethylphenyl)propan-2-yl]piperazine?
1-[1-(2-methoxy-4,5-dimethylphenyl)propan-2-yl]piperazine has a molecular weight of 262.40 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methoxy-4,5-dimethylphenyl)propan-2-yl]piperazine is sourced from PubChem (CID 82302972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).