tert-Butyl Piperidine-4-carboxylate

C₁₀H₁₉NO₂CAS 138007-24-6185.27 g/mol

Open in Covalent MOL file

Ester Secondary amine

Properties

Molecular formula: C₁₀H₁₉NO₂
Molar mass: 185.27 g/mol
Exact mass: 185.1416 Da
logP: 1.33Crippen estimate
Polar surface area: 38.3 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

Precautionary statements

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

Identifiers

CAS number

138007-24-6

SMILES

CC(C)(C)OC(=O)C1CCNCC1

InChIKey

FUYBPBOHNIHCHM-UHFFFAOYSA-N

InChI

InChI=1S/C10H19NO2/c1-10(2,3)13-9(12)8-4-6-11-7-5-8/h8,11H,4-7H2,1-3H3

Weigh it out

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

Names and synonyms

1 names

4-Piperidinecarboxylicacidt-butylesterhcl

Work with tert-Butyl Piperidine-4-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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Piperidine-4-carboxylic acid tert-butyl ester hydrochloride892493-65-1Salt

Similar compounds

trans-4-tert-Butoxycarbonyl-cyclohexane carboxylic acid1021273-74-459 % similar Methyl isonipecotate2971-79-158 % similar Ethyl isonipecotate1126-09-655 % similar (2-Piperidin-4-yl-ethyl)-carbamic acid tert-butyl ester165528-81-454 % similar L-Proline 1,1-dimethylethyl ester2812-46-654 % similar Methyl isonipecotate hydrochloride7462-86-453 % similar 4-(Boc-aminomethyl)piperidine135632-53-053 % similar 4-N-Boc-4-N-methyl-aminopiperidine108612-54-051 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Diethylaminoethyl methacrylate105-16-8 L-Homocyclohexyl alanine116622-38-9 Ethyl 1-piperidinepropanoate19653-33-9 tert-Butylaminoethyl methacrylate3775-90-4 (R)-2-Amino-4-cyclohexylbutanoic acid728880-26-0 1,1-Dimethylethyl 1-piperidinecarboxylate75844-69-8

Elsewhere

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