1-[(2,6-difluorophenyl)methyl]-4-(2-methoxyphenyl)piperazine

C18H20F2N2O — CID 782311

IUPAC1-[(2,6-difluorophenyl)methyl]-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1N1CCN(Cc2c(F)cccc2F)CC1
InChIInChI=1S/C18H20F2N2O/c1-23-18-8-3-2-7-17(18)22-11-9-21(10-12-22)13-14-15(19)5-4-6-16(14)20/h2-8H,9-13H2,1H3
InChIKeyDCMBXQABEATGRC-UHFFFAOYSA-N
MW318.37 g/mol
LogP3.30
Rot. Bonds4

About 1-[(2,6-difluorophenyl)methyl]-4-(2-methoxyphenyl)piperazine

1-[(2,6-difluorophenyl)methyl]-4-(2-methoxyphenyl)piperazine (PubChem CID 782311) has the molecular formula C18H20F2N2O and a molecular weight of 318.37 g/mol. Its IUPAC name is 1-[(2,6-difluorophenyl)methyl]-4-(2-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-[(2,6-difluorophenyl)methyl]-4-(2-methoxyphenyl)piperazine
PubChem CID782311
Molecular FormulaC18H20F2N2O
Molecular Weight318.37 g/mol
Exact Mass318.15
IUPAC Name1-[(2,6-difluorophenyl)methyl]-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1N1CCN(Cc2c(F)cccc2F)CC1
InChIInChI=1S/C18H20F2N2O/c1-23-18-8-3-2-7-17(18)22-11-9-21(10-12-22)13-14-15(19)5-4-6-16(14)20/h2-8H,9-13H2,1H3
InChIKeyDCMBXQABEATGRC-UHFFFAOYSA-N
XLogP3.30
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-difluorophenyl)methyl]-4-(2-methoxyphenyl)piperazine?
The IUPAC name of 1-[(2,6-difluorophenyl)methyl]-4-(2-methoxyphenyl)piperazine (CID 782311) is 1-[(2,6-difluorophenyl)methyl]-4-(2-methoxyphenyl)piperazine.
What is the SMILES notation for 1-[(2,6-difluorophenyl)methyl]-4-(2-methoxyphenyl)piperazine?
The canonical SMILES for 1-[(2,6-difluorophenyl)methyl]-4-(2-methoxyphenyl)piperazine is COc1ccccc1N1CCN(Cc2c(F)cccc2F)CC1.
What is the InChIKey of 1-[(2,6-difluorophenyl)methyl]-4-(2-methoxyphenyl)piperazine?
The InChIKey is DCMBXQABEATGRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O/c1-23-18-8-3-2-7-17(18)22-11-9-21(10-12-22)13-14-15(19)5-4-6-16(14)20/h2-8H,9-13H2,1H3.
What are the key properties of 1-[(2,6-difluorophenyl)methyl]-4-(2-methoxyphenyl)piperazine?
1-[(2,6-difluorophenyl)methyl]-4-(2-methoxyphenyl)piperazine has a molecular weight of 318.37 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-difluorophenyl)methyl]-4-(2-methoxyphenyl)piperazine is sourced from PubChem (CID 782311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).