1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-methyl-2-phenylpiperazine

C20H24F2N2O2 — CID 112801927

IUPAC1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-methyl-2-phenylpiperazine
SMILESCOc1cc(CN2CCN(C)CC2c2ccccc2)ccc1OC(F)F
InChIInChI=1S/C20H24F2N2O2/c1-23-10-11-24(17(14-23)16-6-4-3-5-7-16)13-15-8-9-18(26-20(21)22)19(12-15)25-2/h3-9,12,17,20H,10-11,13-14H2,1-2H3
InChIKeyARALPIBQXATPQZ-UHFFFAOYSA-N
MW362.42 g/mol
LogP3.79
Rot. Bonds6

About 1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-methyl-2-phenylpiperazine

1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-methyl-2-phenylpiperazine (PubChem CID 112801927) has the molecular formula C20H24F2N2O2 and a molecular weight of 362.42 g/mol. Its IUPAC name is 1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-methyl-2-phenylpiperazine.

Molecular Properties

Compound Name1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-methyl-2-phenylpiperazine
PubChem CID112801927
Molecular FormulaC20H24F2N2O2
Molecular Weight362.42 g/mol
Exact Mass362.18
IUPAC Name1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-methyl-2-phenylpiperazine
SMILESCOc1cc(CN2CCN(C)CC2c2ccccc2)ccc1OC(F)F
InChIInChI=1S/C20H24F2N2O2/c1-23-10-11-24(17(14-23)16-6-4-3-5-7-16)13-15-8-9-18(26-20(21)22)19(12-15)25-2/h3-9,12,17,20H,10-11,13-14H2,1-2H3
InChIKeyARALPIBQXATPQZ-UHFFFAOYSA-N
XLogP3.79
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.42
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-[[4-methoxy-3-(pyridin-2-ylmethoxy)phenyl]methyl]-4-methyl-2-phenylpiperazine
CID 93242193
1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(3-fluorophenyl)piperazine;hydrochloride
CID 120768465
(2S)-1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-methylpiperazine
CID 82755517
[1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]pyrrolidin-2-yl]methanamine
CID 115312882
(2R,6R)-4-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2,6-dimethylmorpholine
CID 51924313
1-[1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 63263935
[(3R,4R)-1-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-4-phenylpyrrolidin-3-yl]methanamine
CID 120769816
1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-phenylhydrazine
CID 169384519
(2R)-1-[(4-methoxy-2-pyridinyl)methyl]-4-methyl-2-phenylpiperazine
CID 124742417
(2R)-1-(4-methyl-2-phenylpiperazin-1-yl)propan-2-ol
CID 113354637
(3aS,6aR)-5-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;hydrochloride
CID 120660864
1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-methylpiperidin-4-amine
CID 79874611

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-methyl-2-phenylpiperazine?
The IUPAC name of 1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-methyl-2-phenylpiperazine (CID 112801927) is 1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-methyl-2-phenylpiperazine.
What is the SMILES notation for 1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-methyl-2-phenylpiperazine?
The canonical SMILES for 1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-methyl-2-phenylpiperazine is COc1cc(CN2CCN(C)CC2c2ccccc2)ccc1OC(F)F.
What is the InChIKey of 1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-methyl-2-phenylpiperazine?
The InChIKey is ARALPIBQXATPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2N2O2/c1-23-10-11-24(17(14-23)16-6-4-3-5-7-16)13-15-8-9-18(26-20(21)22)19(12-15)25-2/h3-9,12,17,20H,10-11,13-14H2,1-2H3.
What are the key properties of 1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-methyl-2-phenylpiperazine?
1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-methyl-2-phenylpiperazine has a molecular weight of 362.42 g/mol, XLogP of 3.79, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-methyl-2-phenylpiperazine is sourced from PubChem (CID 112801927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).