(5-ethoxy-2-fluorophenyl)methyl 2,6-dimethylpiperazine-1-carboxylate

C16H23FN2O3 — CID 22219866

IUPAC(5-ethoxy-2-fluorophenyl)methyl 2,6-dimethylpiperazine-1-carboxylate
SMILESCCOc1ccc(F)c(COC(=O)N2C(C)CNCC2C)c1
InChIInChI=1S/C16H23FN2O3/c1-4-21-14-5-6-15(17)13(7-14)10-22-16(20)19-11(2)8-18-9-12(19)3/h5-7,11-12,18H,4,8-10H2,1-3H3
InChIKeyXDBJWDDLMNXUBP-UHFFFAOYSA-N
MW310.37 g/mol
LogP2.54
Rot. Bonds4

About (5-ethoxy-2-fluorophenyl)methyl 2,6-dimethylpiperazine-1-carboxylate

(5-ethoxy-2-fluorophenyl)methyl 2,6-dimethylpiperazine-1-carboxylate (PubChem CID 22219866) has the molecular formula C16H23FN2O3 and a molecular weight of 310.37 g/mol. Its IUPAC name is (5-ethoxy-2-fluorophenyl)methyl 2,6-dimethylpiperazine-1-carboxylate.

Molecular Properties

Compound Name(5-ethoxy-2-fluorophenyl)methyl 2,6-dimethylpiperazine-1-carboxylate
PubChem CID22219866
Molecular FormulaC16H23FN2O3
Molecular Weight310.37 g/mol
Exact Mass310.17
IUPAC Name(5-ethoxy-2-fluorophenyl)methyl 2,6-dimethylpiperazine-1-carboxylate
SMILESCCOc1ccc(F)c(COC(=O)N2C(C)CNCC2C)c1
InChIInChI=1S/C16H23FN2O3/c1-4-21-14-5-6-15(17)13(7-14)10-22-16(20)19-11(2)8-18-9-12(19)3/h5-7,11-12,18H,4,8-10H2,1-3H3
InChIKeyXDBJWDDLMNXUBP-UHFFFAOYSA-N
XLogP2.54
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-butoxy-2-fluorophenyl)methyl 2,6-dimethylpiperazine-1-carboxylate
CID 22220005
(2-fluoro-5-methoxyphenyl)methyl (2S,6R)-2,6-dimethylpiperazine-1-carboxylate
CID 69141668
(2,5-difluorophenyl)methyl (2S,6R)-2,6-dimethylpiperazine-1-carboxylate
CID 69140938
[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
(5-butoxy-2-fluorophenyl)methyl (2R)-2-ethylpiperazine-1-carboxylate
CID 69141844
(3-phenylmethoxyphenyl)methyl (2S,6R)-2,6-dimethylpiperazine-1-carboxylate
CID 69142437
[4-(difluoromethoxy)-2,6-difluorophenyl]methyl (2R,6S)-2,6-dimethylpiperazine-1-carboxylate;hydrochloride
CID 69141564
[2,6-difluoro-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methyl 2,6-dimethylpiperazine-1-carboxylate
CID 69141410
[2-fluoro-5-(3-phenoxypropoxy)phenyl]methyl (2R)-2-ethylpiperazine-1-carboxylate
CID 69142341
[2-fluoro-5-(2-pyrrol-1-ylethoxy)phenyl]methyl (2R)-2-ethylpiperazine-1-carboxylate
CID 69141655
[3-(3,4-dimethoxyphenyl)-2,6-difluorophenyl]methyl (2R,6S)-2,6-dimethylpiperazine-1-carboxylate;hydrochloride
CID 69142110

Frequently Asked Questions

What is the IUPAC name of (5-ethoxy-2-fluorophenyl)methyl 2,6-dimethylpiperazine-1-carboxylate?
The IUPAC name of (5-ethoxy-2-fluorophenyl)methyl 2,6-dimethylpiperazine-1-carboxylate (CID 22219866) is (5-ethoxy-2-fluorophenyl)methyl 2,6-dimethylpiperazine-1-carboxylate.
What is the SMILES notation for (5-ethoxy-2-fluorophenyl)methyl 2,6-dimethylpiperazine-1-carboxylate?
The canonical SMILES for (5-ethoxy-2-fluorophenyl)methyl 2,6-dimethylpiperazine-1-carboxylate is CCOc1ccc(F)c(COC(=O)N2C(C)CNCC2C)c1.
What is the InChIKey of (5-ethoxy-2-fluorophenyl)methyl 2,6-dimethylpiperazine-1-carboxylate?
The InChIKey is XDBJWDDLMNXUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O3/c1-4-21-14-5-6-15(17)13(7-14)10-22-16(20)19-11(2)8-18-9-12(19)3/h5-7,11-12,18H,4,8-10H2,1-3H3.
What are the key properties of (5-ethoxy-2-fluorophenyl)methyl 2,6-dimethylpiperazine-1-carboxylate?
(5-ethoxy-2-fluorophenyl)methyl 2,6-dimethylpiperazine-1-carboxylate has a molecular weight of 310.37 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethoxy-2-fluorophenyl)methyl 2,6-dimethylpiperazine-1-carboxylate is sourced from PubChem (CID 22219866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).