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

C14H19ClF2N2O — CID 67533267

IUPAC1-[2-chloro-3-(difluoromethoxy)phenyl]-4-propylpiperazine
SMILESCCCN1CCN(c2cccc(OC(F)F)c2Cl)CC1
InChIInChI=1S/C14H19ClF2N2O/c1-2-6-18-7-9-19(10-8-18)11-4-3-5-12(13(11)15)20-14(16)17/h3-5,14H,2,6-10H2,1H3
InChIKeyTZDWSNZAMKZKIJ-UHFFFAOYSA-N
MW304.77 g/mol
LogP3.47
Rot. Bonds5

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

1-[2-chloro-3-(difluoromethoxy)phenyl]-4-propylpiperazine (PubChem CID 67533267) has the molecular formula C14H19ClF2N2O and a molecular weight of 304.77 g/mol. Its IUPAC name is 1-[2-chloro-3-(difluoromethoxy)phenyl]-4-propylpiperazine.

Molecular Properties

Compound Name1-[2-chloro-3-(difluoromethoxy)phenyl]-4-propylpiperazine
PubChem CID67533267
Molecular FormulaC14H19ClF2N2O
Molecular Weight304.77 g/mol
Exact Mass304.12
IUPAC Name1-[2-chloro-3-(difluoromethoxy)phenyl]-4-propylpiperazine
SMILESCCCN1CCN(c2cccc(OC(F)F)c2Cl)CC1
InChIInChI=1S/C14H19ClF2N2O/c1-2-6-18-7-9-19(10-8-18)11-4-3-5-12(13(11)15)20-14(16)17/h3-5,14H,2,6-10H2,1H3
InChIKeyTZDWSNZAMKZKIJ-UHFFFAOYSA-N
XLogP3.47
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.77
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-3-(difluoromethoxy)phenyl]-4-propylpiperazine?
The IUPAC name of 1-[2-chloro-3-(difluoromethoxy)phenyl]-4-propylpiperazine (CID 67533267) is 1-[2-chloro-3-(difluoromethoxy)phenyl]-4-propylpiperazine.
What is the SMILES notation for 1-[2-chloro-3-(difluoromethoxy)phenyl]-4-propylpiperazine?
The canonical SMILES for 1-[2-chloro-3-(difluoromethoxy)phenyl]-4-propylpiperazine is CCCN1CCN(c2cccc(OC(F)F)c2Cl)CC1.
What is the InChIKey of 1-[2-chloro-3-(difluoromethoxy)phenyl]-4-propylpiperazine?
The InChIKey is TZDWSNZAMKZKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClF2N2O/c1-2-6-18-7-9-19(10-8-18)11-4-3-5-12(13(11)15)20-14(16)17/h3-5,14H,2,6-10H2,1H3.
What are the key properties of 1-[2-chloro-3-(difluoromethoxy)phenyl]-4-propylpiperazine?
1-[2-chloro-3-(difluoromethoxy)phenyl]-4-propylpiperazine has a molecular weight of 304.77 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-3-(difluoromethoxy)phenyl]-4-propylpiperazine is sourced from PubChem (CID 67533267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).