1-[(4-methoxyphenyl)-(4-propan-2-ylphenyl)methyl]piperazine

C21H28N2O — CID 3987731

IUPAC1-[(4-methoxyphenyl)-(4-propan-2-ylphenyl)methyl]piperazine
SMILESCOc1ccc(C(c2ccc(C(C)C)cc2)N2CCNCC2)cc1
InChIInChI=1S/C21H28N2O/c1-16(2)17-4-6-18(7-5-17)21(23-14-12-22-13-15-23)19-8-10-20(24-3)11-9-19/h4-11,16,21-22H,12-15H2,1-3H3
InChIKeyZHNQQPGODURHNA-UHFFFAOYSA-N
MW324.47 g/mol
LogP3.81
Rot. Bonds5

About 1-[(4-methoxyphenyl)-(4-propan-2-ylphenyl)methyl]piperazine

1-[(4-methoxyphenyl)-(4-propan-2-ylphenyl)methyl]piperazine (PubChem CID 3987731) has the molecular formula C21H28N2O and a molecular weight of 324.47 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)-(4-propan-2-ylphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)-(4-propan-2-ylphenyl)methyl]piperazine
PubChem CID3987731
Molecular FormulaC21H28N2O
Molecular Weight324.47 g/mol
Exact Mass324.22
IUPAC Name1-[(4-methoxyphenyl)-(4-propan-2-ylphenyl)methyl]piperazine
SMILESCOc1ccc(C(c2ccc(C(C)C)cc2)N2CCNCC2)cc1
InChIInChI=1S/C21H28N2O/c1-16(2)17-4-6-18(7-5-17)21(23-14-12-22-13-15-23)19-8-10-20(24-3)11-9-19/h4-11,16,21-22H,12-15H2,1-3H3
InChIKeyZHNQQPGODURHNA-UHFFFAOYSA-N
XLogP3.81
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-methoxyphenyl)-(4-propan-2-ylphenyl)methyl]-1,4-diazepane
CID 3808845
1-[(S)-(4-methoxyphenyl)-phenylmethyl]piperazine
CID 7047760
1-[(4-methoxyphenyl)-(4-methylsulfanylphenyl)methyl]piperazine
CID 3960727
1-[(3,4-dimethoxyphenyl)-(4-methoxyphenyl)methyl]piperazine
CID 3766847
1-[(4-methoxyphenyl)-phenylmethyl]-1,4-diazepane
CID 3838263
1-[(1R)-1-(4-methoxyphenyl)ethyl]piperazine
CID 7047764
1-[(4-methoxyphenyl)-(4-methylsulfanylphenyl)methyl]-1,4-diazepane
CID 4585079
1-[(3,5-dimethylphenyl)-(4-methoxyphenyl)methyl]-1,4-diazepane
CID 3798790
1-[(4-methoxyphenyl)-(3-phenoxyphenyl)methyl]piperazine
CID 3878375
1-[(4-methoxyphenyl)-(4-phenylmethoxyphenyl)methyl]piperazine
CID 3763712
1-[(2,6-dimethoxyphenyl)-(4-methoxyphenyl)methyl]-1,4-diazepane
CID 5130117
(4-methoxyphenyl)-piperazin-1-ylmethanamine
CID 116939730

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)-(4-propan-2-ylphenyl)methyl]piperazine?
The IUPAC name of 1-[(4-methoxyphenyl)-(4-propan-2-ylphenyl)methyl]piperazine (CID 3987731) is 1-[(4-methoxyphenyl)-(4-propan-2-ylphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(4-methoxyphenyl)-(4-propan-2-ylphenyl)methyl]piperazine?
The canonical SMILES for 1-[(4-methoxyphenyl)-(4-propan-2-ylphenyl)methyl]piperazine is COc1ccc(C(c2ccc(C(C)C)cc2)N2CCNCC2)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)-(4-propan-2-ylphenyl)methyl]piperazine?
The InChIKey is ZHNQQPGODURHNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O/c1-16(2)17-4-6-18(7-5-17)21(23-14-12-22-13-15-23)19-8-10-20(24-3)11-9-19/h4-11,16,21-22H,12-15H2,1-3H3.
What are the key properties of 1-[(4-methoxyphenyl)-(4-propan-2-ylphenyl)methyl]piperazine?
1-[(4-methoxyphenyl)-(4-propan-2-ylphenyl)methyl]piperazine has a molecular weight of 324.47 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)-(4-propan-2-ylphenyl)methyl]piperazine is sourced from PubChem (CID 3987731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).