chempirical

Benzyl piperazine-1-carboxylate

C12H16N2O2CAS 31166-44-6220.27 g/mol

Open in Covalent MOL file
NHNOO
CarbamateSecondary amine

Properties

Molecular formula
C12H16N2O2
Molar mass
220.27 g/mol
Exact mass
220.1212 Da
logP
1.23Crippen estimate
Polar surface area
41.6 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Identifiers

CAS number
31166-44-6
SMILES
C1CN(CCN1)C(=O)OCC2=CC=CC=C2
InChIKey
CTOUWUYDDUSBQE-UHFFFAOYSA-N
InChI
InChI=1S/C12H16N2O2/c15-12(14-8-6-13-7-9-14)16-10-11-4-2-1-3-5-11/h1-5,13H,6-10H2

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Names and synonyms

1 names
  • Benzyl 1-piperazinecarboxylate

Work with Benzyl piperazine-1-carboxylate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Benzyl 1,4-diazepane-1-carboxylate117009-97-991 % similar Benzyl 4-oxo-1-piperidinecarboxylate19099-93-568 % similar 1-Cbz-4-methylene-piperidine138163-12-966 % similar Benzyl (5r)-5-methyl-1,4-diazepane-1-carboxylate1001401-60-065 % similar Phenylmethyl (3S)-3-methyl-1-piperazinecarboxylate612493-87-563 % similar 4-Amino-piperidine-1-carboxylic acid benzyl ester120278-07-163 % similar N-(Benzyloxycarbonyl)-4-hydroxypiperidine95798-23-563 % similar Benzyl 3-pyrroline-1-carboxylate31970-04-462 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

(S)-1-Cbz-3-aminopyrrolidine122536-72-5 Phenylmethyl (3R)-3-amino-1-pyrrolidinecarboxylate122536-73-6 3-Amino-1-benzylpyrrolidine-3-carboxylic acid145602-87-5 (S)-3-N-Cbz-aminopyrrolidine176970-12-0 Phenylmethyl 3-amino-1-pyrrolidinecarboxylate185057-50-5 3-(4-Methyl-1-piperazinyl)benzoic acid215309-01-6 1-Piperonylpiperazine32231-06-4 1-Acetyl-4-(4-hydroxyphenyl)piperazine67914-60-7

Elsewhere

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