1-[[3-(difluoromethoxy)phenyl]methyl]-2-(2-methoxyphenyl)piperazine

C19H22F2N2O2 — CID 120754169

IUPAC1-[[3-(difluoromethoxy)phenyl]methyl]-2-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1C1CNCCN1Cc1cccc(OC(F)F)c1
InChIInChI=1S/C19H22F2N2O2/c1-24-18-8-3-2-7-16(18)17-12-22-9-10-23(17)13-14-5-4-6-15(11-14)25-19(20)21/h2-8,11,17,19,22H,9-10,12-13H2,1H3
InChIKeyJDBZSPAPAPSLRU-UHFFFAOYSA-N
MW348.39 g/mol
LogP3.44
Rot. Bonds6

About 1-[[3-(difluoromethoxy)phenyl]methyl]-2-(2-methoxyphenyl)piperazine

1-[[3-(difluoromethoxy)phenyl]methyl]-2-(2-methoxyphenyl)piperazine (PubChem CID 120754169) has the molecular formula C19H22F2N2O2 and a molecular weight of 348.39 g/mol. Its IUPAC name is 1-[[3-(difluoromethoxy)phenyl]methyl]-2-(2-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-[[3-(difluoromethoxy)phenyl]methyl]-2-(2-methoxyphenyl)piperazine
PubChem CID120754169
Molecular FormulaC19H22F2N2O2
Molecular Weight348.39 g/mol
Exact Mass348.16
IUPAC Name1-[[3-(difluoromethoxy)phenyl]methyl]-2-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1C1CNCCN1Cc1cccc(OC(F)F)c1
InChIInChI=1S/C19H22F2N2O2/c1-24-18-8-3-2-7-16(18)17-12-22-9-10-23(17)13-14-5-4-6-15(11-14)25-19(20)21/h2-8,11,17,19,22H,9-10,12-13H2,1H3
InChIKeyJDBZSPAPAPSLRU-UHFFFAOYSA-N
XLogP3.44
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.39
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[2-(difluoromethoxy)phenyl]methyl]-2-(2-methoxyphenyl)piperazine
CID 120753405
N-[3-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]phenyl]acetamide
CID 120754114
N-[3-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]phenyl]acetamide;hydrochloride
CID 120754113
[3-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]phenyl]-piperidin-1-ylmethanone;hydrochloride
CID 120753770
N-[4-(difluoromethoxy)phenyl]-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 120753715
3-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-N,N-dimethylbenzenesulfonamide
CID 120754221
2-(2-methoxyphenyl)-1-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]piperazine
CID 120767579
1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(3-fluorophenyl)piperazine;hydrochloride
CID 120768465
1-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-2-(2-methoxyphenyl)piperazine
CID 120767587
1-[(2,4-difluorophenyl)methyl]-2-(2-methoxyphenyl)piperazine;hydrochloride
CID 120753939
2-[2-(difluoromethoxy)phenyl]-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 120732889
2-(2-methoxyphenyl)-1-[(6-methyl-3-pyridinyl)methyl]piperazine;hydrochloride
CID 120767246

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(difluoromethoxy)phenyl]methyl]-2-(2-methoxyphenyl)piperazine?
The IUPAC name of 1-[[3-(difluoromethoxy)phenyl]methyl]-2-(2-methoxyphenyl)piperazine (CID 120754169) is 1-[[3-(difluoromethoxy)phenyl]methyl]-2-(2-methoxyphenyl)piperazine.
What is the SMILES notation for 1-[[3-(difluoromethoxy)phenyl]methyl]-2-(2-methoxyphenyl)piperazine?
The canonical SMILES for 1-[[3-(difluoromethoxy)phenyl]methyl]-2-(2-methoxyphenyl)piperazine is COc1ccccc1C1CNCCN1Cc1cccc(OC(F)F)c1.
What is the InChIKey of 1-[[3-(difluoromethoxy)phenyl]methyl]-2-(2-methoxyphenyl)piperazine?
The InChIKey is JDBZSPAPAPSLRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N2O2/c1-24-18-8-3-2-7-16(18)17-12-22-9-10-23(17)13-14-5-4-6-15(11-14)25-19(20)21/h2-8,11,17,19,22H,9-10,12-13H2,1H3.
What are the key properties of 1-[[3-(difluoromethoxy)phenyl]methyl]-2-(2-methoxyphenyl)piperazine?
1-[[3-(difluoromethoxy)phenyl]methyl]-2-(2-methoxyphenyl)piperazine has a molecular weight of 348.39 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(difluoromethoxy)phenyl]methyl]-2-(2-methoxyphenyl)piperazine is sourced from PubChem (CID 120754169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).