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

C14H18F2N2O2 — CID 22219996

IUPAC(2,5-difluorophenyl)methyl 2,6-dimethylpiperazine-1-carboxylate
SMILESCC1CNCC(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
InChIKeyFAHIECZTEZSXIJ-UHFFFAOYSA-N
MW284.31 g/mol
LogP2.28
Rot. Bonds2

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

(2,5-difluorophenyl)methyl 2,6-dimethylpiperazine-1-carboxylate (PubChem CID 22219996) has the molecular formula C14H18F2N2O2 and a molecular weight of 284.31 g/mol. Its IUPAC name is (2,5-difluorophenyl)methyl 2,6-dimethylpiperazine-1-carboxylate.

Molecular Properties

Compound Name(2,5-difluorophenyl)methyl 2,6-dimethylpiperazine-1-carboxylate
PubChem CID22219996
Molecular FormulaC14H18F2N2O2
Molecular Weight284.31 g/mol
Exact Mass284.13
IUPAC Name(2,5-difluorophenyl)methyl 2,6-dimethylpiperazine-1-carboxylate
SMILESCC1CNCC(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
InChIKeyFAHIECZTEZSXIJ-UHFFFAOYSA-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

Benzyl 3-oxopiperazine-1-carboxylate
CID 736777
Benzyl piperazine-1-carboxylate
CID 643495
(1-Cyano-pyrrolidin-3-yl)-carbamic acid benzyl ester
CID 10198752
(S)-1-(2-fluorophenyl)ethyl (S)-quinuclidin-3-ylcarbamate
CID 11679149
(2R,6S)-rel-Benzyl 2,6-dimethylpiperazine-1-carboxylate
CID 46884035
4-Cbz-aminopiperidine
CID 1514304
benzyl N-(2-methylpropyl)carbamate
CID 14568365
Benzyl 1,4-diazepane-1-carboxylate
CID 4384955
Benzyl 4-aminobutyl(3-aminopropyl)carbamate
CID 389610
Benzyl 4-[(2-cyclohexylidene-2-fluoroethyl)amino]-1-piperidinecarboxylate
CID 23646099
Benzyl 4-[2-(prop-2-enoylamino)acetyl]piperazine-1-carboxylate (3a)
CID 73774924
Cbz-Val-Sar-DL-Val-CF3
CID 73349818

Frequently Asked Questions

What is the IUPAC name of (2,5-difluorophenyl)methyl 2,6-dimethylpiperazine-1-carboxylate?
The IUPAC name of (2,5-difluorophenyl)methyl 2,6-dimethylpiperazine-1-carboxylate (CID 22219996) is (2,5-difluorophenyl)methyl 2,6-dimethylpiperazine-1-carboxylate.
What is the SMILES notation for (2,5-difluorophenyl)methyl 2,6-dimethylpiperazine-1-carboxylate?
The canonical SMILES for (2,5-difluorophenyl)methyl 2,6-dimethylpiperazine-1-carboxylate is CC1CNCC(C)N1C(=O)OCc1cc(F)ccc1F.
What is the InChIKey of (2,5-difluorophenyl)methyl 2,6-dimethylpiperazine-1-carboxylate?
The InChIKey is FAHIECZTEZSXIJ-UHFFFAOYSA-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.
What are the key properties of (2,5-difluorophenyl)methyl 2,6-dimethylpiperazine-1-carboxylate?
(2,5-difluorophenyl)methyl 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 2,6-dimethylpiperazine-1-carboxylate is sourced from PubChem (CID 22219996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).