1-[2-[2-(difluoromethoxy)phenyl]-1-phenylethyl]piperazine

C19H22F2N2O — CID 46890395

IUPAC1-[2-[2-(difluoromethoxy)phenyl]-1-phenylethyl]piperazine
SMILESFC(F)Oc1ccccc1CC(c1ccccc1)N1CCNCC1
InChIInChI=1S/C19H22F2N2O/c20-19(21)24-18-9-5-4-8-16(18)14-17(15-6-2-1-3-7-15)23-12-10-22-11-13-23/h1-9,17,19,22H,10-14H2
InChIKeyVCVDPONUNCPTCQ-UHFFFAOYSA-N
MW332.39 g/mol
LogP3.48
Rot. Bonds6

About 1-[2-[2-(difluoromethoxy)phenyl]-1-phenylethyl]piperazine

1-[2-[2-(difluoromethoxy)phenyl]-1-phenylethyl]piperazine (PubChem CID 46890395) has the molecular formula C19H22F2N2O and a molecular weight of 332.39 g/mol. Its IUPAC name is 1-[2-[2-(difluoromethoxy)phenyl]-1-phenylethyl]piperazine.

Molecular Properties

Compound Name1-[2-[2-(difluoromethoxy)phenyl]-1-phenylethyl]piperazine
PubChem CID46890395
Molecular FormulaC19H22F2N2O
Molecular Weight332.39 g/mol
Exact Mass332.17
IUPAC Name1-[2-[2-(difluoromethoxy)phenyl]-1-phenylethyl]piperazine
SMILESFC(F)Oc1ccccc1CC(c1ccccc1)N1CCNCC1
InChIInChI=1S/C19H22F2N2O/c20-19(21)24-18-9-5-4-8-16(18)14-17(15-6-2-1-3-7-15)23-12-10-22-11-13-23/h1-9,17,19,22H,10-14H2
InChIKeyVCVDPONUNCPTCQ-UHFFFAOYSA-N
XLogP3.48
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.39
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(difluoromethoxy)phenyl]-1-phenylethyl]piperazine?
The IUPAC name of 1-[2-[2-(difluoromethoxy)phenyl]-1-phenylethyl]piperazine (CID 46890395) is 1-[2-[2-(difluoromethoxy)phenyl]-1-phenylethyl]piperazine.
What is the SMILES notation for 1-[2-[2-(difluoromethoxy)phenyl]-1-phenylethyl]piperazine?
The canonical SMILES for 1-[2-[2-(difluoromethoxy)phenyl]-1-phenylethyl]piperazine is FC(F)Oc1ccccc1CC(c1ccccc1)N1CCNCC1.
What is the InChIKey of 1-[2-[2-(difluoromethoxy)phenyl]-1-phenylethyl]piperazine?
The InChIKey is VCVDPONUNCPTCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N2O/c20-19(21)24-18-9-5-4-8-16(18)14-17(15-6-2-1-3-7-15)23-12-10-22-11-13-23/h1-9,17,19,22H,10-14H2.
What are the key properties of 1-[2-[2-(difluoromethoxy)phenyl]-1-phenylethyl]piperazine?
1-[2-[2-(difluoromethoxy)phenyl]-1-phenylethyl]piperazine has a molecular weight of 332.39 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(difluoromethoxy)phenyl]-1-phenylethyl]piperazine is sourced from PubChem (CID 46890395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).