1-Carbobenzoxy-4-piperidinecarboxylic Acid

C₁₄H₁₇NO₄CAS 10314-98-4263.29 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid

Properties

Molecular formula: C₁₄H₁₇NO₄
Molar mass: 263.29 g/mol
Exact mass: 263.1158 Da
logP: 2.12Crippen estimate
Polar surface area: 66.8 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 3

Hazards

Warning

H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled16.7% of notifiers
H302 Harmful if swallowed16.7% of notifiers
H312 Harmful in contact with skin16.7% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled16.7% of notifiers
H335 May cause respiratory irritation83.3% of notifiers

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

10314-98-4

SMILES

C1CN(CCC1C(=O)O)C(=O)OCC2=CC=CC=C2

InChIKey

URTPNQRAHXRPMP-UHFFFAOYSA-N

InChI

InChI=1S/C14H17NO4/c16-13(17)12-6-8-15(9-7-12)14(18)19-10-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,16,17)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

1-[(Benzyloxy)carbonyl]piperidine-4-carboxylic acid

Work with 1-Carbobenzoxy-4-piperidinecarboxylic Acid

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

1-N-Cbz-pyrrolidine-3-carboxylic acid188527-21-185 % similar 1-Benzyloxycarbonylazetidine-3-carboxylic acid97628-92-776 % similar N-(Benzyloxycarbonyl)-4-hydroxypiperidine95798-23-569 % similar Benzyl 4-(chloroformyl)-1-piperidinecarboxylic acid10314-99-568 % similar Benzyl 4-(hydroxymethyl)piperidine-1-carboxylate122860-33-766 % similar 4-Amino-piperidine-1-carboxylic acid benzyl ester120278-07-165 % similar (2S)-1-(Benzyloxycarbonyl)azetidine-2-carboxylic acid25654-52-864 % similar 1-Benzoylpiperidine-4-carboxylic acid5274-99-764 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Cbz-2-piperidinecarboxylic acid28697-07-6 (D)-N-(Benzyloxycarbonyl)pipecolic acid28697-09-8 1-Carbobenzoxy-2-piperidinecarboxylic Acid71170-88-2 1-[(Benzyloxy)carbonyl]-3-piperidinecarboxylic acid78190-11-1 Phthalimidoacetaldehyde diethyl acetal78902-09-7 (S)-Piperidine-1,3-dicarboxylic acid 1-benzyl ester88466-74-4

Elsewhere

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