3-(4-methoxy-3-propan-2-ylphenyl)-1-methylpiperazine

C15H24N2O — CID 82118990

IUPAC3-(4-methoxy-3-propan-2-ylphenyl)-1-methylpiperazine
SMILESCOc1ccc(C2CN(C)CCN2)cc1C(C)C
InChIInChI=1S/C15H24N2O/c1-11(2)13-9-12(5-6-15(13)18-4)14-10-17(3)8-7-16-14/h5-6,9,11,14,16H,7-8,10H2,1-4H3
InChIKeyPMVRNBWBAJDMLX-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.39
Rot. Bonds3

About 3-(4-methoxy-3-propan-2-ylphenyl)-1-methylpiperazine

3-(4-methoxy-3-propan-2-ylphenyl)-1-methylpiperazine (PubChem CID 82118990) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 3-(4-methoxy-3-propan-2-ylphenyl)-1-methylpiperazine.

Molecular Properties

Compound Name3-(4-methoxy-3-propan-2-ylphenyl)-1-methylpiperazine
PubChem CID82118990
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name3-(4-methoxy-3-propan-2-ylphenyl)-1-methylpiperazine
SMILESCOc1ccc(C2CN(C)CCN2)cc1C(C)C
InChIInChI=1S/C15H24N2O/c1-11(2)13-9-12(5-6-15(13)18-4)14-10-17(3)8-7-16-14/h5-6,9,11,14,16H,7-8,10H2,1-4H3
InChIKeyPMVRNBWBAJDMLX-UHFFFAOYSA-N
XLogP2.39
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxy-3-propan-2-ylphenyl)pyrrolidine
CID 82158685
3-(3,4-diethoxyphenyl)-1-methylpiperazine
CID 116989258
3-(4-methoxy-3-propan-2-ylphenyl)morpholine
CID 82083415
3-(2-methoxy-5-methylphenyl)-1-methylpiperazine
CID 82114400
3-(2,4-dimethoxy-3-methylphenyl)-1-methylpiperazine
CID 82297569
5-(4-methoxy-3-propan-2-ylphenyl)-2-methylmorpholine
CID 82297024
4-(4-methylpiperazin-2-yl)aniline
CID 66617407
3-(6-chloro-3-pyridinyl)-1-methylpiperazine
CID 131537539
2-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]piperidine
CID 117469530
3-(4-methoxy-3-propan-2-ylphenyl)pyrrolidin-2-one
CID 82129055
4-(4-methoxy-3-propan-2-ylphenyl)azepane
CID 82296013
1-methyl-3-(1-methylpyrrol-3-yl)piperazine
CID 82280749

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-3-propan-2-ylphenyl)-1-methylpiperazine?
The IUPAC name of 3-(4-methoxy-3-propan-2-ylphenyl)-1-methylpiperazine (CID 82118990) is 3-(4-methoxy-3-propan-2-ylphenyl)-1-methylpiperazine.
What is the SMILES notation for 3-(4-methoxy-3-propan-2-ylphenyl)-1-methylpiperazine?
The canonical SMILES for 3-(4-methoxy-3-propan-2-ylphenyl)-1-methylpiperazine is COc1ccc(C2CN(C)CCN2)cc1C(C)C.
What is the InChIKey of 3-(4-methoxy-3-propan-2-ylphenyl)-1-methylpiperazine?
The InChIKey is PMVRNBWBAJDMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-11(2)13-9-12(5-6-15(13)18-4)14-10-17(3)8-7-16-14/h5-6,9,11,14,16H,7-8,10H2,1-4H3.
What are the key properties of 3-(4-methoxy-3-propan-2-ylphenyl)-1-methylpiperazine?
3-(4-methoxy-3-propan-2-ylphenyl)-1-methylpiperazine has a molecular weight of 248.37 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-3-propan-2-ylphenyl)-1-methylpiperazine is sourced from PubChem (CID 82118990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).