(3,4-difluorophenyl)methyl piperazine-1-carboxylate

C12H14F2N2O2 — CID 69141353

IUPAC(3,4-difluorophenyl)methyl piperazine-1-carboxylate
SMILESO=C(OCc1ccc(F)c(F)c1)N1CCNCC1
InChIInChI=1S/C12H14F2N2O2/c13-10-2-1-9(7-11(10)14)8-18-12(17)16-5-3-15-4-6-16/h1-2,7,15H,3-6,8H2
InChIKeyDLGYZLSCJLCJIY-UHFFFAOYSA-N
MW256.25 g/mol
LogP1.51
Rot. Bonds2

About (3,4-difluorophenyl)methyl piperazine-1-carboxylate

(3,4-difluorophenyl)methyl piperazine-1-carboxylate (PubChem CID 69141353) has the molecular formula C12H14F2N2O2 and a molecular weight of 256.25 g/mol. Its IUPAC name is (3,4-difluorophenyl)methyl piperazine-1-carboxylate.

Molecular Properties

Compound Name(3,4-difluorophenyl)methyl piperazine-1-carboxylate
PubChem CID69141353
Molecular FormulaC12H14F2N2O2
Molecular Weight256.25 g/mol
Exact Mass256.10
IUPAC Name(3,4-difluorophenyl)methyl piperazine-1-carboxylate
SMILESO=C(OCc1ccc(F)c(F)c1)N1CCNCC1
InChIInChI=1S/C12H14F2N2O2/c13-10-2-1-9(7-11(10)14)8-18-12(17)16-5-3-15-4-6-16/h1-2,7,15H,3-6,8H2
InChIKeyDLGYZLSCJLCJIY-UHFFFAOYSA-N
XLogP1.51
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.25
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Benzyl Cyanomethylcarbamate
CID 244143
Benzyl 3-oxopiperazine-1-carboxylate
CID 736777
Benzyl piperazine-1-carboxylate
CID 643495
benzyl N-{[(cyanomethyl)carbamoyl]methyl}carbamate
CID 15567852
(2R,6S)-rel-Benzyl 2,6-dimethylpiperazine-1-carboxylate
CID 46884035
benzyl N-(3-aminopropyl)carbamate hydrochloride
CID 13196227
benzyl N-(prop-2-en-1-yl)carbamate
CID 562279
4-Cbz-aminopiperidine
CID 1514304
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

Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)methyl piperazine-1-carboxylate?
The IUPAC name of (3,4-difluorophenyl)methyl piperazine-1-carboxylate (CID 69141353) is (3,4-difluorophenyl)methyl piperazine-1-carboxylate.
What is the SMILES notation for (3,4-difluorophenyl)methyl piperazine-1-carboxylate?
The canonical SMILES for (3,4-difluorophenyl)methyl piperazine-1-carboxylate is O=C(OCc1ccc(F)c(F)c1)N1CCNCC1.
What is the InChIKey of (3,4-difluorophenyl)methyl piperazine-1-carboxylate?
The InChIKey is DLGYZLSCJLCJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O2/c13-10-2-1-9(7-11(10)14)8-18-12(17)16-5-3-15-4-6-16/h1-2,7,15H,3-6,8H2.
What are the key properties of (3,4-difluorophenyl)methyl piperazine-1-carboxylate?
(3,4-difluorophenyl)methyl piperazine-1-carboxylate has a molecular weight of 256.25 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluorophenyl)methyl piperazine-1-carboxylate is sourced from PubChem (CID 69141353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).