tert-Butyl 3-phenylpiperazine-1-carboxylate

C₁₅H₂₂N₂O₂CAS 502649-25-4262.35 g/mol

Open in Covalent MOL file

Carbamate Secondary amine

Properties

Molecular formula: C₁₅H₂₂N₂O₂
Molar mass: 262.35 g/mol
Exact mass: 262.1681 Da
logP: 2.57Crippen estimate
Polar surface area: 41.6 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

502649-25-4

SMILES

CC(C)(C)OC(=O)N1CCNC(C1)C2=CC=CC=C2

InChIKey

HRRFJZULVYGVNJ-UHFFFAOYSA-N

InChI

InChI=1S/C15H22N2O2/c1-15(2,3)19-14(18)17-10-9-16-13(11-17)12-7-5-4-6-8-12/h4-8,13,16H,9-11H2,1-3H3

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Names and synonyms

1 names

N-1-Boc-3-phenylpiperazine

Work with tert-Butyl 3-phenylpiperazine-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

tert-Butyl 3-Benzylpiperazine-1-carboxylate502649-29-869 % similar tert-Butyl 3-methylpiperazine-1-carboxylate120737-59-959 % similar (S)-4-N-Boc-2-methylpiperazine147081-29-659 % similar (R)-4-Boc-2-methylpiperazine163765-44-459 % similar (S)-1-N-Boc-3-isopropylpiperazine475272-54-957 % similar tert-Butyl 3-ethylpiperazine-1-carboxylate438049-35-556 % similar (R)-3-Hydroxymethyl-piperazine-1-carboxylic acid tert-butyl ester278788-66-255 % similar 4-N-Boc-2-hydroxymethylpiperazine301673-16-555 % similar

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

Same formula

Ferrostatin-1347174-05-4 tert-Butyl (3S,4R)-4-phenylpyrrolidin-3-ylcarbamate351360-61-7 Hydrogenated MDI5124-30-1

Elsewhere

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