(2,5-difluorophenyl)methyl (2S,6R)-2,6-dimethylpiperazine-1-carboxylate

C14H18F2N2O2 — CID 69140938

IUPAC(2,5-difluorophenyl)methyl (2S,6R)-2,6-dimethylpiperazine-1-carboxylate
SMILESC[C@@H]1CNC[C@H](C)N1C(=O)OCc1cc(F)ccc1F
InChIInChI=1S/C14H18F2N2O2/c1-9-6-17-7-10(2)18(9)14(19)20-8-11-5-12(15)3-4-13(11)16/h3-5,9-10,17H,6-8H2,1-2H3/t9-,10+
InChIKeyFAHIECZTEZSXIJ-AOOOYVTPSA-N
MW284.31 g/mol
LogP2.28
Rot. Bonds2

About (2,5-difluorophenyl)methyl (2S,6R)-2,6-dimethylpiperazine-1-carboxylate

(2,5-difluorophenyl)methyl (2S,6R)-2,6-dimethylpiperazine-1-carboxylate (PubChem CID 69140938) has the molecular formula C14H18F2N2O2 and a molecular weight of 284.31 g/mol. Its IUPAC name is (2,5-difluorophenyl)methyl (2S,6R)-2,6-dimethylpiperazine-1-carboxylate.

Molecular Properties

Compound Name(2,5-difluorophenyl)methyl (2S,6R)-2,6-dimethylpiperazine-1-carboxylate
PubChem CID69140938
Molecular FormulaC14H18F2N2O2
Molecular Weight284.31 g/mol
Exact Mass284.13
IUPAC Name(2,5-difluorophenyl)methyl (2S,6R)-2,6-dimethylpiperazine-1-carboxylate
SMILESC[C@@H]1CNC[C@H](C)N1C(=O)OCc1cc(F)ccc1F
InChIInChI=1S/C14H18F2N2O2/c1-9-6-17-7-10(2)18(9)14(19)20-8-11-5-12(15)3-4-13(11)16/h3-5,9-10,17H,6-8H2,1-2H3/t9-,10+
InChIKeyFAHIECZTEZSXIJ-AOOOYVTPSA-N
XLogP2.28
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-fluoro-5-methoxyphenyl)methyl (2S,6R)-2,6-dimethylpiperazine-1-carboxylate
CID 69141668
(5-ethoxy-2-fluorophenyl)methyl 2,6-dimethylpiperazine-1-carboxylate
CID 22219866
(5-butoxy-2-fluorophenyl)methyl 2,6-dimethylpiperazine-1-carboxylate
CID 22220005
[2-fluoro-5-(3-phenylpropoxy)phenyl]methyl (2R,6S)-2,6-dimethylpiperazine-1-carboxylate
CID 21021892
(4-chlorophenyl)methyl 2,6-dimethylpiperazine-1-carboxylate
CID 69141542
[4-(difluoromethoxy)-2,6-difluorophenyl]methyl (2R,6S)-2,6-dimethylpiperazine-1-carboxylate;hydrochloride
CID 69141564
[3-(3,4-dimethoxyphenyl)-2,6-difluorophenyl]methyl (2R,6S)-2,6-dimethylpiperazine-1-carboxylate;hydrochloride
CID 69142110
(2,5-difluorophenyl)methyl carbonochloridate
CID 83820147
[3-(3-acetylphenyl)-2,6-difluorophenyl]methyl (2R,6S)-2,6-dimethylpiperazine-1-carboxylate;hydrochloride
CID 69140927
(3-phenylmethoxyphenyl)methyl (2S,6R)-2,6-dimethylpiperazine-1-carboxylate
CID 69142437
[2,6-difluoro-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methyl 2,6-dimethylpiperazine-1-carboxylate
CID 69141410
N-[2-(2,5-difluorophenyl)ethyl]-N-methylazetidine-3-carboxamide
CID 115159086

Frequently Asked Questions

What is the IUPAC name of (2,5-difluorophenyl)methyl (2S,6R)-2,6-dimethylpiperazine-1-carboxylate?
The IUPAC name of (2,5-difluorophenyl)methyl (2S,6R)-2,6-dimethylpiperazine-1-carboxylate (CID 69140938) is (2,5-difluorophenyl)methyl (2S,6R)-2,6-dimethylpiperazine-1-carboxylate.
What is the SMILES notation for (2,5-difluorophenyl)methyl (2S,6R)-2,6-dimethylpiperazine-1-carboxylate?
The canonical SMILES for (2,5-difluorophenyl)methyl (2S,6R)-2,6-dimethylpiperazine-1-carboxylate is C[C@@H]1CNC[C@H](C)N1C(=O)OCc1cc(F)ccc1F.
What is the InChIKey of (2,5-difluorophenyl)methyl (2S,6R)-2,6-dimethylpiperazine-1-carboxylate?
The InChIKey is FAHIECZTEZSXIJ-AOOOYVTPSA-N. The full InChI is InChI=1S/C14H18F2N2O2/c1-9-6-17-7-10(2)18(9)14(19)20-8-11-5-12(15)3-4-13(11)16/h3-5,9-10,17H,6-8H2,1-2H3/t9-,10+.
What are the key properties of (2,5-difluorophenyl)methyl (2S,6R)-2,6-dimethylpiperazine-1-carboxylate?
(2,5-difluorophenyl)methyl (2S,6R)-2,6-dimethylpiperazine-1-carboxylate has a molecular weight of 284.31 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-difluorophenyl)methyl (2S,6R)-2,6-dimethylpiperazine-1-carboxylate is sourced from PubChem (CID 69140938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).