1-[[4-(difluoromethoxy)phenyl]methyl]-2-(4-propan-2-yloxyphenyl)piperazine

C21H26F2N2O2 — CID 175659582

IUPAC1-[[4-(difluoromethoxy)phenyl]methyl]-2-(4-propan-2-yloxyphenyl)piperazine
SMILESCC(C)Oc1ccc(C2CNCCN2Cc2ccc(OC(F)F)cc2)cc1
InChIInChI=1S/C21H26F2N2O2/c1-15(2)26-18-9-5-17(6-10-18)20-13-24-11-12-25(20)14-16-3-7-19(8-4-16)27-21(22)23/h3-10,15,20-21,24H,11-14H2,1-2H3
InChIKeyMZEHBEFMPLWPTL-UHFFFAOYSA-N
MW376.45 g/mol
LogP4.22
Rot. Bonds7

About 1-[[4-(difluoromethoxy)phenyl]methyl]-2-(4-propan-2-yloxyphenyl)piperazine

1-[[4-(difluoromethoxy)phenyl]methyl]-2-(4-propan-2-yloxyphenyl)piperazine (PubChem CID 175659582) has the molecular formula C21H26F2N2O2 and a molecular weight of 376.45 g/mol. Its IUPAC name is 1-[[4-(difluoromethoxy)phenyl]methyl]-2-(4-propan-2-yloxyphenyl)piperazine.

Molecular Properties

Compound Name1-[[4-(difluoromethoxy)phenyl]methyl]-2-(4-propan-2-yloxyphenyl)piperazine
PubChem CID175659582
Molecular FormulaC21H26F2N2O2
Molecular Weight376.45 g/mol
Exact Mass376.20
IUPAC Name1-[[4-(difluoromethoxy)phenyl]methyl]-2-(4-propan-2-yloxyphenyl)piperazine
SMILESCC(C)Oc1ccc(C2CNCCN2Cc2ccc(OC(F)F)cc2)cc1
InChIInChI=1S/C21H26F2N2O2/c1-15(2)26-18-9-5-17(6-10-18)20-13-24-11-12-25(20)14-16-3-7-19(8-4-16)27-21(22)23/h3-10,15,20-21,24H,11-14H2,1-2H3
InChIKeyMZEHBEFMPLWPTL-UHFFFAOYSA-N
XLogP4.22
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-propan-2-yloxyphenyl)-1-(pyridin-4-ylmethyl)piperazine
CID 175656523
1-[[4-(difluoromethoxy)phenyl]methyl]-2-pyridin-4-ylpiperazine;hydrochloride
CID 120910278
1-[(3-fluorophenyl)methyl]-2-(4-propan-2-yloxyphenyl)piperazine
CID 175659920
(2R)-2-(4-propan-2-yloxyphenyl)-1-(pyridin-3-ylmethyl)piperazine
CID 124944321
4-methyl-2-[[2-(4-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole
CID 175660267
1-[(2-methyl-3-pyridinyl)methyl]-2-(4-propan-2-yloxyphenyl)piperazine
CID 175660271
(2R)-1-benzyl-2-(4-methoxyphenyl)piperazine
CID 99906556
1-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]-2-pyridin-4-ylpiperazine
CID 120910574
2-(4-methoxyphenyl)-1-(pyridin-4-ylmethyl)piperazine
CID 110109334
2-(4-methoxyphenyl)-1-[(4-nitrophenyl)methyl]piperazine
CID 21331832
4-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]benzamide;hydrochloride
CID 120758148
1-[(4-ethoxyphenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
CID 120910643

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(difluoromethoxy)phenyl]methyl]-2-(4-propan-2-yloxyphenyl)piperazine?
The IUPAC name of 1-[[4-(difluoromethoxy)phenyl]methyl]-2-(4-propan-2-yloxyphenyl)piperazine (CID 175659582) is 1-[[4-(difluoromethoxy)phenyl]methyl]-2-(4-propan-2-yloxyphenyl)piperazine.
What is the SMILES notation for 1-[[4-(difluoromethoxy)phenyl]methyl]-2-(4-propan-2-yloxyphenyl)piperazine?
The canonical SMILES for 1-[[4-(difluoromethoxy)phenyl]methyl]-2-(4-propan-2-yloxyphenyl)piperazine is CC(C)Oc1ccc(C2CNCCN2Cc2ccc(OC(F)F)cc2)cc1.
What is the InChIKey of 1-[[4-(difluoromethoxy)phenyl]methyl]-2-(4-propan-2-yloxyphenyl)piperazine?
The InChIKey is MZEHBEFMPLWPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26F2N2O2/c1-15(2)26-18-9-5-17(6-10-18)20-13-24-11-12-25(20)14-16-3-7-19(8-4-16)27-21(22)23/h3-10,15,20-21,24H,11-14H2,1-2H3.
What are the key properties of 1-[[4-(difluoromethoxy)phenyl]methyl]-2-(4-propan-2-yloxyphenyl)piperazine?
1-[[4-(difluoromethoxy)phenyl]methyl]-2-(4-propan-2-yloxyphenyl)piperazine has a molecular weight of 376.45 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(difluoromethoxy)phenyl]methyl]-2-(4-propan-2-yloxyphenyl)piperazine is sourced from PubChem (CID 175659582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).