1-[[2-(3-methoxyphenyl)phenyl]methyl]piperazine

C18H22N2O — CID 91111204

IUPAC1-[[2-(3-methoxyphenyl)phenyl]methyl]piperazine
SMILESCOc1cccc(-c2ccccc2CN2CCNCC2)c1
InChIInChI=1S/C18H22N2O/c1-21-17-7-4-6-15(13-17)18-8-3-2-5-16(18)14-20-11-9-19-10-12-20/h2-8,13,19H,9-12,14H2,1H3
InChIKeyOHMQBOAPUNCWBR-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.77
Rot. Bonds4

About 1-[[2-(3-methoxyphenyl)phenyl]methyl]piperazine

1-[[2-(3-methoxyphenyl)phenyl]methyl]piperazine (PubChem CID 91111204) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 1-[[2-(3-methoxyphenyl)phenyl]methyl]piperazine.

Molecular Properties

Compound Name1-[[2-(3-methoxyphenyl)phenyl]methyl]piperazine
PubChem CID91111204
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name1-[[2-(3-methoxyphenyl)phenyl]methyl]piperazine
SMILESCOc1cccc(-c2ccccc2CN2CCNCC2)c1
InChIInChI=1S/C18H22N2O/c1-21-17-7-4-6-15(13-17)18-8-3-2-5-16(18)14-20-11-9-19-10-12-20/h2-8,13,19H,9-12,14H2,1H3
InChIKeyOHMQBOAPUNCWBR-UHFFFAOYSA-N
XLogP2.77
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 ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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1-[(2-chloro-4-methoxyphenyl)methyl]piperazine
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CID 165144364
2-(3-methoxyphenyl)-6-methyl-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine
CID 2759685
2-amino-6-borono-2-[1-[[2-(3-methoxyphenyl)phenyl]methyl]piperidin-4-yl]hexanoic acid;dihydrochloride
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1-[(3-methoxy-2-methylphenyl)methyl]piperazine
CID 83707267
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CID 67327483

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(3-methoxyphenyl)phenyl]methyl]piperazine?
The IUPAC name of 1-[[2-(3-methoxyphenyl)phenyl]methyl]piperazine (CID 91111204) is 1-[[2-(3-methoxyphenyl)phenyl]methyl]piperazine.
What is the SMILES notation for 1-[[2-(3-methoxyphenyl)phenyl]methyl]piperazine?
The canonical SMILES for 1-[[2-(3-methoxyphenyl)phenyl]methyl]piperazine is COc1cccc(-c2ccccc2CN2CCNCC2)c1.
What is the InChIKey of 1-[[2-(3-methoxyphenyl)phenyl]methyl]piperazine?
The InChIKey is OHMQBOAPUNCWBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-21-17-7-4-6-15(13-17)18-8-3-2-5-16(18)14-20-11-9-19-10-12-20/h2-8,13,19H,9-12,14H2,1H3.
What are the key properties of 1-[[2-(3-methoxyphenyl)phenyl]methyl]piperazine?
1-[[2-(3-methoxyphenyl)phenyl]methyl]piperazine has a molecular weight of 282.39 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(3-methoxyphenyl)phenyl]methyl]piperazine is sourced from PubChem (CID 91111204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).