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

C14H20F2N2O2 — CID 82755517

IUPAC(2S)-1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-methylpiperazine
SMILESCOc1cc(CN2CCNC[C@@H]2C)ccc1OC(F)F
InChIInChI=1S/C14H20F2N2O2/c1-10-8-17-5-6-18(10)9-11-3-4-12(20-14(15)16)13(7-11)19-2/h3-4,7,10,14,17H,5-6,8-9H2,1-2H3/t10-/m0/s1
InChIKeyUHWRDNCTUSXGPQ-JTQLQIEISA-N
MW286.32 g/mol
LogP2.09
Rot. Bonds5

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

(2S)-1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-methylpiperazine (PubChem CID 82755517) has the molecular formula C14H20F2N2O2 and a molecular weight of 286.32 g/mol. Its IUPAC name is (2S)-1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-methylpiperazine.

Molecular Properties

Compound Name(2S)-1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-methylpiperazine
PubChem CID82755517
Molecular FormulaC14H20F2N2O2
Molecular Weight286.32 g/mol
Exact Mass286.15
IUPAC Name(2S)-1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-methylpiperazine
SMILESCOc1cc(CN2CCNC[C@@H]2C)ccc1OC(F)F
InChIInChI=1S/C14H20F2N2O2/c1-10-8-17-5-6-18(10)9-11-3-4-12(20-14(15)16)13(7-11)19-2/h3-4,7,10,14,17H,5-6,8-9H2,1-2H3/t10-/m0/s1
InChIKeyUHWRDNCTUSXGPQ-JTQLQIEISA-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-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(3-fluorophenyl)piperazine;hydrochloride
CID 120768465
1-[(3,4-dimethoxyphenyl)methyl]-2-methyl-1,4-diazepane
CID 82303795
1-[(3-chloro-4-methoxyphenyl)methyl]-2-methylpiperazine
CID 82299031
(2R)-1-[(4-methoxy-3-prop-2-enylphenyl)methyl]-2-methylpiperazine
CID 126435859
(2S)-1-[(4-methoxy-3-nitrophenyl)methyl]-2-methylpiperazine
CID 82714108
(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-[(3,4-dimethoxyphenyl)methyl]piperazine-2-carbonitrile
CID 79085542
(2R)-1-[[3-chloro-4-(trifluoromethoxy)phenyl]methyl]-2-methylpiperazine
CID 95212131
[1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]pyrrolidin-2-yl]methanamine
CID 115312882
1-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]-2-pyridin-4-ylpiperazine
CID 120910574
1-[[3-(difluoromethoxy)phenyl]methyl]-2-(2-methoxyphenyl)piperazine
CID 120754169
(2R,6R)-4-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2,6-dimethylmorpholine
CID 51924313

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-methylpiperazine?
The IUPAC name of (2S)-1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-methylpiperazine (CID 82755517) is (2S)-1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-methylpiperazine.
What is the SMILES notation for (2S)-1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-methylpiperazine?
The canonical SMILES for (2S)-1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-methylpiperazine is COc1cc(CN2CCNC[C@@H]2C)ccc1OC(F)F.
What is the InChIKey of (2S)-1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-methylpiperazine?
The InChIKey is UHWRDNCTUSXGPQ-JTQLQIEISA-N. The full InChI is InChI=1S/C14H20F2N2O2/c1-10-8-17-5-6-18(10)9-11-3-4-12(20-14(15)16)13(7-11)19-2/h3-4,7,10,14,17H,5-6,8-9H2,1-2H3/t10-/m0/s1.
What are the key properties of (2S)-1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-methylpiperazine?
(2S)-1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-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 (2S)-1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-methylpiperazine is sourced from PubChem (CID 82755517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).