1-[2-chloro-3-(difluoromethoxy)phenyl]-4-(2-methoxyethyl)piperazine

C14H19ClF2N2O2 — CID 67532009

IUPAC1-[2-chloro-3-(difluoromethoxy)phenyl]-4-(2-methoxyethyl)piperazine
SMILESCOCCN1CCN(c2cccc(OC(F)F)c2Cl)CC1
InChIInChI=1S/C14H19ClF2N2O2/c1-20-10-9-18-5-7-19(8-6-18)11-3-2-4-12(13(11)15)21-14(16)17/h2-4,14H,5-10H2,1H3
InChIKeyPEWHDSUAXPGOTR-UHFFFAOYSA-N
MW320.77 g/mol
LogP2.71
Rot. Bonds6

About 1-[2-chloro-3-(difluoromethoxy)phenyl]-4-(2-methoxyethyl)piperazine

1-[2-chloro-3-(difluoromethoxy)phenyl]-4-(2-methoxyethyl)piperazine (PubChem CID 67532009) has the molecular formula C14H19ClF2N2O2 and a molecular weight of 320.77 g/mol. Its IUPAC name is 1-[2-chloro-3-(difluoromethoxy)phenyl]-4-(2-methoxyethyl)piperazine.

Molecular Properties

Compound Name1-[2-chloro-3-(difluoromethoxy)phenyl]-4-(2-methoxyethyl)piperazine
PubChem CID67532009
Molecular FormulaC14H19ClF2N2O2
Molecular Weight320.77 g/mol
Exact Mass320.11
IUPAC Name1-[2-chloro-3-(difluoromethoxy)phenyl]-4-(2-methoxyethyl)piperazine
SMILESCOCCN1CCN(c2cccc(OC(F)F)c2Cl)CC1
InChIInChI=1S/C14H19ClF2N2O2/c1-20-10-9-18-5-7-19(8-6-18)11-3-2-4-12(13(11)15)21-14(16)17/h2-4,14H,5-10H2,1H3
InChIKeyPEWHDSUAXPGOTR-UHFFFAOYSA-N
XLogP2.71
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.77
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-3-(difluoromethoxy)phenyl]-4-(2-methoxyethyl)piperazine?
The IUPAC name of 1-[2-chloro-3-(difluoromethoxy)phenyl]-4-(2-methoxyethyl)piperazine (CID 67532009) is 1-[2-chloro-3-(difluoromethoxy)phenyl]-4-(2-methoxyethyl)piperazine.
What is the SMILES notation for 1-[2-chloro-3-(difluoromethoxy)phenyl]-4-(2-methoxyethyl)piperazine?
The canonical SMILES for 1-[2-chloro-3-(difluoromethoxy)phenyl]-4-(2-methoxyethyl)piperazine is COCCN1CCN(c2cccc(OC(F)F)c2Cl)CC1.
What is the InChIKey of 1-[2-chloro-3-(difluoromethoxy)phenyl]-4-(2-methoxyethyl)piperazine?
The InChIKey is PEWHDSUAXPGOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClF2N2O2/c1-20-10-9-18-5-7-19(8-6-18)11-3-2-4-12(13(11)15)21-14(16)17/h2-4,14H,5-10H2,1H3.
What are the key properties of 1-[2-chloro-3-(difluoromethoxy)phenyl]-4-(2-methoxyethyl)piperazine?
1-[2-chloro-3-(difluoromethoxy)phenyl]-4-(2-methoxyethyl)piperazine has a molecular weight of 320.77 g/mol, XLogP of 2.71, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-3-(difluoromethoxy)phenyl]-4-(2-methoxyethyl)piperazine is sourced from PubChem (CID 67532009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).