1-[(4-methoxy-2,5-dimethylphenyl)methyl]-4-phenylpiperazine

C20H26N2O — CID 1377111

IUPAC1-[(4-methoxy-2,5-dimethylphenyl)methyl]-4-phenylpiperazine
SMILESCOc1cc(C)c(CN2CCN(c3ccccc3)CC2)cc1C
InChIInChI=1S/C20H26N2O/c1-16-14-20(23-3)17(2)13-18(16)15-21-9-11-22(12-10-21)19-7-5-4-6-8-19/h4-8,13-14H,9-12,15H2,1-3H3
InChIKeyNFGJGJHFBGZVMK-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.63
Rot. Bonds4

About 1-[(4-methoxy-2,5-dimethylphenyl)methyl]-4-phenylpiperazine

1-[(4-methoxy-2,5-dimethylphenyl)methyl]-4-phenylpiperazine (PubChem CID 1377111) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is 1-[(4-methoxy-2,5-dimethylphenyl)methyl]-4-phenylpiperazine.

Molecular Properties

Compound Name1-[(4-methoxy-2,5-dimethylphenyl)methyl]-4-phenylpiperazine
PubChem CID1377111
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Name1-[(4-methoxy-2,5-dimethylphenyl)methyl]-4-phenylpiperazine
SMILESCOc1cc(C)c(CN2CCN(c3ccccc3)CC2)cc1C
InChIInChI=1S/C20H26N2O/c1-16-14-20(23-3)17(2)13-18(16)15-21-9-11-22(12-10-21)19-7-5-4-6-8-19/h4-8,13-14H,9-12,15H2,1-3H3
InChIKeyNFGJGJHFBGZVMK-UHFFFAOYSA-N
XLogP3.63
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxy-2,5-dimethylphenyl)methyl]-4-phenylpiperazine?
The IUPAC name of 1-[(4-methoxy-2,5-dimethylphenyl)methyl]-4-phenylpiperazine (CID 1377111) is 1-[(4-methoxy-2,5-dimethylphenyl)methyl]-4-phenylpiperazine.
What is the SMILES notation for 1-[(4-methoxy-2,5-dimethylphenyl)methyl]-4-phenylpiperazine?
The canonical SMILES for 1-[(4-methoxy-2,5-dimethylphenyl)methyl]-4-phenylpiperazine is COc1cc(C)c(CN2CCN(c3ccccc3)CC2)cc1C.
What is the InChIKey of 1-[(4-methoxy-2,5-dimethylphenyl)methyl]-4-phenylpiperazine?
The InChIKey is NFGJGJHFBGZVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O/c1-16-14-20(23-3)17(2)13-18(16)15-21-9-11-22(12-10-21)19-7-5-4-6-8-19/h4-8,13-14H,9-12,15H2,1-3H3.
What are the key properties of 1-[(4-methoxy-2,5-dimethylphenyl)methyl]-4-phenylpiperazine?
1-[(4-methoxy-2,5-dimethylphenyl)methyl]-4-phenylpiperazine has a molecular weight of 310.44 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxy-2,5-dimethylphenyl)methyl]-4-phenylpiperazine is sourced from PubChem (CID 1377111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).