1-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3-methylpiperazine

C14H20F2N2O2 — CID 65416136

IUPAC1-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3-methylpiperazine
SMILESCOc1ccc(CN2CCNC(C)C2)cc1OC(F)F
InChIInChI=1S/C14H20F2N2O2/c1-10-8-18(6-5-17-10)9-11-3-4-12(19-2)13(7-11)20-14(15)16/h3-4,7,10,14,17H,5-6,8-9H2,1-2H3
InChIKeyIDHGKFTVFUBVDR-UHFFFAOYSA-N
MW286.32 g/mol
LogP2.09
Rot. Bonds5

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

1-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3-methylpiperazine (PubChem CID 65416136) has the molecular formula C14H20F2N2O2 and a molecular weight of 286.32 g/mol. Its IUPAC name is 1-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3-methylpiperazine.

Molecular Properties

Compound Name1-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3-methylpiperazine
PubChem CID65416136
Molecular FormulaC14H20F2N2O2
Molecular Weight286.32 g/mol
Exact Mass286.15
IUPAC Name1-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3-methylpiperazine
SMILESCOc1ccc(CN2CCNC(C)C2)cc1OC(F)F
InChIInChI=1S/C14H20F2N2O2/c1-10-8-18(6-5-17-10)9-11-3-4-12(19-2)13(7-11)20-14(15)16/h3-4,7,10,14,17H,5-6,8-9H2,1-2H3
InChIKeyIDHGKFTVFUBVDR-UHFFFAOYSA-N
XLogP2.09
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3,5-dimethylpiperazine
CID 63862972
(3R)-1-[(3-ethoxy-4-methoxyphenyl)methyl]-3-methylpiperazine
CID 96937270
1-[(3-fluoro-4-methoxyphenyl)methyl]-3-methylpiperazine
CID 64834581
(3S)-1-[(3-methoxy-4-methylphenyl)methyl]-3-methylpiperazine
CID 120845778
(3S)-1-[(4-methoxy-3-methylphenyl)methyl]-3-methylpiperazine
CID 95450816
(3R)-1-[(4-ethoxy-3-methoxyphenyl)methyl]-3-methylpiperazine
CID 96937266
1-[(3-chloro-4-methoxyphenyl)methyl]-3-methylpiperazine
CID 65419171
(3R)-1-[(4-chloro-3-methoxyphenyl)methyl]-3-methylpiperazine
CID 168510109
1-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methylpyrrolidin-3-amine
CID 115299969
1-[1-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]pyrrolidin-3-yl]piperazine;hydrochloride
CID 120967904
1-[1-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]pyrrolidin-3-yl]ethanamine
CID 103975538
1-[(4-methoxy-3-nitrophenyl)methyl]-3-methylpiperazine;hydrochloride
CID 119924418

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3-methylpiperazine?
The IUPAC name of 1-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3-methylpiperazine (CID 65416136) is 1-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3-methylpiperazine.
What is the SMILES notation for 1-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3-methylpiperazine?
The canonical SMILES for 1-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3-methylpiperazine is COc1ccc(CN2CCNC(C)C2)cc1OC(F)F.
What is the InChIKey of 1-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3-methylpiperazine?
The InChIKey is IDHGKFTVFUBVDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O2/c1-10-8-18(6-5-17-10)9-11-3-4-12(19-2)13(7-11)20-14(15)16/h3-4,7,10,14,17H,5-6,8-9H2,1-2H3.
What are the key properties of 1-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3-methylpiperazine?
1-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3-methylpiperazine has a molecular weight of 286.32 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3-methylpiperazine is sourced from PubChem (CID 65416136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).