1-[2-[(2,3-difluorophenoxy)methyl]phenyl]piperazine

C17H18F2N2O — CID 45483506

IUPAC1-[2-[(2,3-difluorophenoxy)methyl]phenyl]piperazine
SMILESFc1cccc(OCc2ccccc2N2CCNCC2)c1F
InChIInChI=1S/C17H18F2N2O/c18-14-5-3-7-16(17(14)19)22-12-13-4-1-2-6-15(13)21-10-8-20-9-11-21/h1-7,20H,8-12H2
InChIKeyKETAEAPLSWORIE-UHFFFAOYSA-N
MW304.34 g/mol
LogP2.95
Rot. Bonds4

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

1-[2-[(2,3-difluorophenoxy)methyl]phenyl]piperazine (PubChem CID 45483506) has the molecular formula C17H18F2N2O and a molecular weight of 304.34 g/mol. Its IUPAC name is 1-[2-[(2,3-difluorophenoxy)methyl]phenyl]piperazine.

Molecular Properties

Compound Name1-[2-[(2,3-difluorophenoxy)methyl]phenyl]piperazine
PubChem CID45483506
Molecular FormulaC17H18F2N2O
Molecular Weight304.34 g/mol
Exact Mass304.14
IUPAC Name1-[2-[(2,3-difluorophenoxy)methyl]phenyl]piperazine
SMILESFc1cccc(OCc2ccccc2N2CCNCC2)c1F
InChIInChI=1S/C17H18F2N2O/c18-14-5-3-7-16(17(14)19)22-12-13-4-1-2-6-15(13)21-10-8-20-9-11-21/h1-7,20H,8-12H2
InChIKeyKETAEAPLSWORIE-UHFFFAOYSA-N
XLogP2.95
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2,3-difluorophenoxy)methyl]phenyl]piperazine?
The IUPAC name of 1-[2-[(2,3-difluorophenoxy)methyl]phenyl]piperazine (CID 45483506) is 1-[2-[(2,3-difluorophenoxy)methyl]phenyl]piperazine.
What is the SMILES notation for 1-[2-[(2,3-difluorophenoxy)methyl]phenyl]piperazine?
The canonical SMILES for 1-[2-[(2,3-difluorophenoxy)methyl]phenyl]piperazine is Fc1cccc(OCc2ccccc2N2CCNCC2)c1F.
What is the InChIKey of 1-[2-[(2,3-difluorophenoxy)methyl]phenyl]piperazine?
The InChIKey is KETAEAPLSWORIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O/c18-14-5-3-7-16(17(14)19)22-12-13-4-1-2-6-15(13)21-10-8-20-9-11-21/h1-7,20H,8-12H2.
What are the key properties of 1-[2-[(2,3-difluorophenoxy)methyl]phenyl]piperazine?
1-[2-[(2,3-difluorophenoxy)methyl]phenyl]piperazine has a molecular weight of 304.34 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2,3-difluorophenoxy)methyl]phenyl]piperazine is sourced from PubChem (CID 45483506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).