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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Related Compounds

[2-fluoro-3-[4-(2-methoxyethyl)piperazin-1-yl]phenyl] methanesulfonate
CID 57447993
2-chloro-6-(4-ethylpiperazin-1-yl)aniline;2-chloro-6-[4-(2-methoxyethyl)piperazin-1-yl]aniline;2-chloro-6-(4-propylpiperazin-1-yl)aniline
CID 158515954
4-[[4-(2,3-dichlorophenyl)piperazin-1-yl]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 118772829
1-[1-(2-methoxyethyl)piperidin-4-yl]-4-(2-methoxyphenyl)piperazine
CID 91811532
2-[4-(2-methoxyethyl)piperazin-1-yl]benzamide
CID 91343454
5-chloro-2-methoxy-4-[4-(2-methoxyethyl)piperazin-1-yl]aniline
CID 130270914
4-chloro-5-[4-(2-methoxyethyl)piperazin-1-yl]-2-phenylpyridazin-3-one
CID 31921656
1-butyl-4-(2,3-dichlorophenyl)piperazine
CID 58358826
1-[4-(difluoromethoxy)phenyl]-2-[4-(2-methoxyethyl)piperazin-1-yl]ethanol
CID 110901960
N-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-1-methoxypropan-2-amine
CID 62574171
4-(2-chloro-3-methoxyphenyl)morpholine
CID 102440572
2-[[2-(difluoromethoxy)phenyl]methyl]-9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decane
CID 45213726

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).