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

C16H26N2O — CID 82302982

IUPAC1-[1-(4-methoxy-2,5-dimethylphenyl)propan-2-yl]piperazine
SMILESCOc1cc(C)c(CC(C)N2CCNCC2)cc1C
InChIInChI=1S/C16H26N2O/c1-12-10-16(19-4)13(2)9-15(12)11-14(3)18-7-5-17-6-8-18/h9-10,14,17H,5-8,11H2,1-4H3
InChIKeyLOMSWOUEIKZTIE-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.15
Rot. Bonds4

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

1-[1-(4-methoxy-2,5-dimethylphenyl)propan-2-yl]piperazine (PubChem CID 82302982) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-[1-(4-methoxy-2,5-dimethylphenyl)propan-2-yl]piperazine.

Molecular Properties

Compound Name1-[1-(4-methoxy-2,5-dimethylphenyl)propan-2-yl]piperazine
PubChem CID82302982
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-[1-(4-methoxy-2,5-dimethylphenyl)propan-2-yl]piperazine
SMILESCOc1cc(C)c(CC(C)N2CCNCC2)cc1C
InChIInChI=1S/C16H26N2O/c1-12-10-16(19-4)13(2)9-15(12)11-14(3)18-7-5-17-6-8-18/h9-10,14,17H,5-8,11H2,1-4H3
InChIKeyLOMSWOUEIKZTIE-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-(2-methoxy-4,5-dimethylphenyl)propan-2-yl]piperazine
CID 82302972
4-(4-methoxy-2,5-dimethylphenyl)-3-methyl-1-piperazin-1-ylbutan-1-one
CID 83927800
1-[1-(2,5-dimethylphenyl)propan-2-yl]piperazine
CID 82289927
1-[1-(5-tert-butyl-2-methoxyphenyl)propan-2-yl]piperazine
CID 82255612
2-(4-methoxy-2,5-dimethylphenyl)-2-piperazin-1-ylethanol
CID 82303827
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
1-[(1R)-1-(2,6-dimethoxy-4-methylphenyl)ethyl]piperazine
CID 171296555
1-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]piperazine
CID 28798806
1-[2-(2-fluoro-4-methoxy-5-methylphenyl)ethyl]piperazine
CID 117384392
1-[1-(2,4-dichlorophenyl)propan-2-yl]piperazine
CID 82255584

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methoxy-2,5-dimethylphenyl)propan-2-yl]piperazine?
The IUPAC name of 1-[1-(4-methoxy-2,5-dimethylphenyl)propan-2-yl]piperazine (CID 82302982) is 1-[1-(4-methoxy-2,5-dimethylphenyl)propan-2-yl]piperazine.
What is the SMILES notation for 1-[1-(4-methoxy-2,5-dimethylphenyl)propan-2-yl]piperazine?
The canonical SMILES for 1-[1-(4-methoxy-2,5-dimethylphenyl)propan-2-yl]piperazine is COc1cc(C)c(CC(C)N2CCNCC2)cc1C.
What is the InChIKey of 1-[1-(4-methoxy-2,5-dimethylphenyl)propan-2-yl]piperazine?
The InChIKey is LOMSWOUEIKZTIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12-10-16(19-4)13(2)9-15(12)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-(4-methoxy-2,5-dimethylphenyl)propan-2-yl]piperazine?
1-[1-(4-methoxy-2,5-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-(4-methoxy-2,5-dimethylphenyl)propan-2-yl]piperazine is sourced from PubChem (CID 82302982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).