1-methyl-4-[(3-phenoxyphenyl)methyl]piperazine

C18H22N2O — CID 792665

IUPAC1-methyl-4-[(3-phenoxyphenyl)methyl]piperazine
SMILESCN1CCN(Cc2cccc(Oc3ccccc3)c2)CC1
InChIInChI=1S/C18H22N2O/c1-19-10-12-20(13-11-19)15-16-6-5-9-18(14-16)21-17-7-3-2-4-8-17/h2-9,14H,10-13,15H2,1H3
InChIKeyBTWXNZQCFPKMKW-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.23
Rot. Bonds4

About 1-methyl-4-[(3-phenoxyphenyl)methyl]piperazine

1-methyl-4-[(3-phenoxyphenyl)methyl]piperazine (PubChem CID 792665) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 1-methyl-4-[(3-phenoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[(3-phenoxyphenyl)methyl]piperazine
PubChem CID792665
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name1-methyl-4-[(3-phenoxyphenyl)methyl]piperazine
SMILESCN1CCN(Cc2cccc(Oc3ccccc3)c2)CC1
InChIInChI=1S/C18H22N2O/c1-19-10-12-20(13-11-19)15-16-6-5-9-18(14-16)21-17-7-3-2-4-8-17/h2-9,14H,10-13,15H2,1H3
InChIKeyBTWXNZQCFPKMKW-UHFFFAOYSA-N
XLogP3.23
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(3-phenoxyphenyl)methyl]piperazine?
The IUPAC name of 1-methyl-4-[(3-phenoxyphenyl)methyl]piperazine (CID 792665) is 1-methyl-4-[(3-phenoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-methyl-4-[(3-phenoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-methyl-4-[(3-phenoxyphenyl)methyl]piperazine is CN1CCN(Cc2cccc(Oc3ccccc3)c2)CC1.
What is the InChIKey of 1-methyl-4-[(3-phenoxyphenyl)methyl]piperazine?
The InChIKey is BTWXNZQCFPKMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-19-10-12-20(13-11-19)15-16-6-5-9-18(14-16)21-17-7-3-2-4-8-17/h2-9,14H,10-13,15H2,1H3.
What are the key properties of 1-methyl-4-[(3-phenoxyphenyl)methyl]piperazine?
1-methyl-4-[(3-phenoxyphenyl)methyl]piperazine has a molecular weight of 282.39 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(3-phenoxyphenyl)methyl]piperazine is sourced from PubChem (CID 792665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).