(2,6-difluoro-3-methoxyphenyl)methyl 2-ethylpiperazine-1-carboxylate;hydrochloride

C15H21ClF2N2O3 — CID 69144074

IUPAC(2,6-difluoro-3-methoxyphenyl)methyl 2-ethylpiperazine-1-carboxylate;hydrochloride
SMILESCCC1CNCCN1C(=O)OCc1c(F)ccc(OC)c1F.Cl
InChIInChI=1S/C15H20F2N2O3.ClH/c1-3-10-8-18-6-7-19(10)15(20)22-9-11-12(16)4-5-13(21-2)14(11)17;/h4-5,10,18H,3,6-9H2,1-2H3;1H
InChIKeyHEUURRPVXMHYNC-UHFFFAOYSA-N
MW350.79 g/mol
LogP2.72
Rot. Bonds4

About (2,6-difluoro-3-methoxyphenyl)methyl 2-ethylpiperazine-1-carboxylate;hydrochloride

(2,6-difluoro-3-methoxyphenyl)methyl 2-ethylpiperazine-1-carboxylate;hydrochloride (PubChem CID 69144074) has the molecular formula C15H21ClF2N2O3 and a molecular weight of 350.79 g/mol. Its IUPAC name is (2,6-difluoro-3-methoxyphenyl)methyl 2-ethylpiperazine-1-carboxylate;hydrochloride.

Molecular Properties

Compound Name(2,6-difluoro-3-methoxyphenyl)methyl 2-ethylpiperazine-1-carboxylate;hydrochloride
PubChem CID69144074
Molecular FormulaC15H21ClF2N2O3
Molecular Weight350.79 g/mol
Exact Mass350.12
IUPAC Name(2,6-difluoro-3-methoxyphenyl)methyl 2-ethylpiperazine-1-carboxylate;hydrochloride
SMILESCCC1CNCCN1C(=O)OCc1c(F)ccc(OC)c1F.Cl
InChIInChI=1S/C15H20F2N2O3.ClH/c1-3-10-8-18-6-7-19(10)15(20)22-9-11-12(16)4-5-13(21-2)14(11)17;/h4-5,10,18H,3,6-9H2,1-2H3;1H
InChIKeyHEUURRPVXMHYNC-UHFFFAOYSA-N
XLogP2.72
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.79
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2,6-difluoro-3-(2-methoxyethoxy)phenyl]methyl 2-ethylpiperazine-1-carboxylate;hydrochloride
CID 69143959
(2,6-difluoro-3-propoxyphenyl)methyl (2R)-2-ethylpiperazine-1-carboxylate;hydrochloride
CID 69189225
[3-(3,3-dimethylbutoxy)-2,6-difluorophenyl]methyl (2R)-2-ethylpiperazine-1-carboxylate;hydrochloride
CID 69142974
[3-(cyclobutylmethoxy)-2,6-difluorophenyl]methyl (2R)-2-ethylpiperazine-1-carboxylate;hydrochloride
CID 69143854
[2,6-difluoro-3-[(2-methylphenyl)methoxy]phenyl]methyl (2R)-2-ethylpiperazine-1-carboxylate
CID 69142808
(5-butoxy-2-fluorophenyl)methyl (2R)-2-ethylpiperazine-1-carboxylate
CID 69141844
[2-fluoro-5-(3-phenoxypropoxy)phenyl]methyl (2R)-2-ethylpiperazine-1-carboxylate
CID 69142341
[5-(2-cyclohexylethoxy)-2-fluorophenyl]methyl 2-ethylpiperazine-1-carboxylate;hydrochloride
CID 69143976
[2-fluoro-5-(2-pyrrol-1-ylethoxy)phenyl]methyl (2R)-2-ethylpiperazine-1-carboxylate
CID 69141655
(2-chloro-6-fluoro-4-prop-2-enoxyphenyl)methanol;(2-chloro-6-fluoro-4-prop-2-enoxyphenyl)methyl (2R)-2-ethylpiperazine-1-carboxylate
CID 174469807
[3-(3,4-dimethoxyphenyl)-2,6-difluorophenyl]methyl (2R,6S)-2,6-dimethylpiperazine-1-carboxylate;hydrochloride
CID 69142110
4-O-tert-butyl 1-O-[[2-fluoro-5-(3-methoxypropoxy)phenyl]methyl] (2R)-2-ethylpiperazine-1,4-dicarboxylate;[2-fluoro-5-(3-methoxypropoxy)phenyl]methyl (2R)-2-ethylpiperazine-1-carboxylate
CID 131737825

Frequently Asked Questions

What is the IUPAC name of (2,6-difluoro-3-methoxyphenyl)methyl 2-ethylpiperazine-1-carboxylate;hydrochloride?
The IUPAC name of (2,6-difluoro-3-methoxyphenyl)methyl 2-ethylpiperazine-1-carboxylate;hydrochloride (CID 69144074) is (2,6-difluoro-3-methoxyphenyl)methyl 2-ethylpiperazine-1-carboxylate;hydrochloride.
What is the SMILES notation for (2,6-difluoro-3-methoxyphenyl)methyl 2-ethylpiperazine-1-carboxylate;hydrochloride?
The canonical SMILES for (2,6-difluoro-3-methoxyphenyl)methyl 2-ethylpiperazine-1-carboxylate;hydrochloride is CCC1CNCCN1C(=O)OCc1c(F)ccc(OC)c1F.Cl.
What is the InChIKey of (2,6-difluoro-3-methoxyphenyl)methyl 2-ethylpiperazine-1-carboxylate;hydrochloride?
The InChIKey is HEUURRPVXMHYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O3.ClH/c1-3-10-8-18-6-7-19(10)15(20)22-9-11-12(16)4-5-13(21-2)14(11)17;/h4-5,10,18H,3,6-9H2,1-2H3;1H.
What are the key properties of (2,6-difluoro-3-methoxyphenyl)methyl 2-ethylpiperazine-1-carboxylate;hydrochloride?
(2,6-difluoro-3-methoxyphenyl)methyl 2-ethylpiperazine-1-carboxylate;hydrochloride has a molecular weight of 350.79 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluoro-3-methoxyphenyl)methyl 2-ethylpiperazine-1-carboxylate;hydrochloride is sourced from PubChem (CID 69144074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).