3-benzyl-1-(4-methoxyphenyl)piperazine

C18H22N2O — CID 54503810

IUPAC3-benzyl-1-(4-methoxyphenyl)piperazine
SMILESCOc1ccc(N2CCNC(Cc3ccccc3)C2)cc1
InChIInChI=1S/C18H22N2O/c1-21-18-9-7-17(8-10-18)20-12-11-19-16(14-20)13-15-5-3-2-4-6-15/h2-10,16,19H,11-14H2,1H3
InChIKeyKFPOQNUNZGGLCK-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.72
Rot. Bonds4

About 3-benzyl-1-(4-methoxyphenyl)piperazine

3-benzyl-1-(4-methoxyphenyl)piperazine (PubChem CID 54503810) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 3-benzyl-1-(4-methoxyphenyl)piperazine.

Molecular Properties

Compound Name3-benzyl-1-(4-methoxyphenyl)piperazine
PubChem CID54503810
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name3-benzyl-1-(4-methoxyphenyl)piperazine
SMILESCOc1ccc(N2CCNC(Cc3ccccc3)C2)cc1
InChIInChI=1S/C18H22N2O/c1-21-18-9-7-17(8-10-18)20-12-11-19-16(14-20)13-15-5-3-2-4-6-15/h2-10,16,19H,11-14H2,1H3
InChIKeyKFPOQNUNZGGLCK-UHFFFAOYSA-N
XLogP2.72
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

3-benzyl-1-(3-methoxyphenyl)piperazine
CID 57219049
3-benzyl-1-phenyl-1,4-diazepane
CID 64943308
3-[(4-methoxyphenyl)methyl]-1-methylpiperazine
CID 82286365
3-benzyl-1-(4-bromo-3-methylphenyl)piperazine
CID 64925469
3-benzyl-1-(4-iodophenyl)-1,4-diazepane
CID 64943195
methyl 3-[(3R)-3-benzylpiperazin-1-yl]benzoate
CID 45072864
3-benzyl-1-(3-chlorophenyl)piperazine
CID 64924476
3-benzyl-1-(3-bromo-5-methylphenyl)piperazine
CID 107580098
7-benzyl-8-[3-[(4-methoxyphenyl)methyl]piperazin-1-yl]-1,3-dimethylpurine-2,6-dione
CID 23083655
methyl 2-[(3R)-3-benzylpiperazin-1-yl]benzoate
CID 45072865
methyl 2-[(3S)-3-benzylpiperazin-1-yl]benzoate
CID 45072871
3-benzyl-1-(2-chloro-6-methylphenyl)piperazine
CID 66255496

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-(4-methoxyphenyl)piperazine?
The IUPAC name of 3-benzyl-1-(4-methoxyphenyl)piperazine (CID 54503810) is 3-benzyl-1-(4-methoxyphenyl)piperazine.
What is the SMILES notation for 3-benzyl-1-(4-methoxyphenyl)piperazine?
The canonical SMILES for 3-benzyl-1-(4-methoxyphenyl)piperazine is COc1ccc(N2CCNC(Cc3ccccc3)C2)cc1.
What is the InChIKey of 3-benzyl-1-(4-methoxyphenyl)piperazine?
The InChIKey is KFPOQNUNZGGLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-21-18-9-7-17(8-10-18)20-12-11-19-16(14-20)13-15-5-3-2-4-6-15/h2-10,16,19H,11-14H2,1H3.
What are the key properties of 3-benzyl-1-(4-methoxyphenyl)piperazine?
3-benzyl-1-(4-methoxyphenyl)piperazine has a molecular weight of 282.39 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-(4-methoxyphenyl)piperazine is sourced from PubChem (CID 54503810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).