Piperidine-4-carboxylic acid tert-butyl ester hydrochloride

C₁₀H₂₀ClNO₂CAS 892493-65-1221.72 g/mol

Open in Covalent MOL file

Ester Secondary amine

Properties

Molecular formula: C₁₀H₂₀ClNO₂
Molar mass: 221.72 g/mol
Exact mass: 221.1183 Da
logP: 1.75Crippen 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 3 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

892493-65-1

SMILES

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

InChIKey

VLFRGIAACOBTLR-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

4-Piperidinecarboxylic acid T-butyl ester hcl

Work with Piperidine-4-carboxylic acid tert-butyl ester hydrochloride

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.

tert-Butyl Piperidine-4-carboxylate138007-24-6Free base

Similar compounds

Methyl isonipecotate hydrochloride7462-86-462 % similar Piperidine-4-carboxylic acid ethyl ester hydrochloride147636-76-858 % similar D-Proline tert-butyl ester hydrochloride184719-80-058 % similar (S)-Proline tert-butyl ester hydrochloride5497-76-758 % similar trans-4-tert-Butoxycarbonyl-cyclohexane carboxylic acid1021273-74-454 % similar Methyl isonipecotate2971-79-153 % similar N-Me-ala-otbu hcl103614-40-050 % similar Ethyl isonipecotate1126-09-650 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Methyl (2S)-2-amino-3-cyclohexylpropanoate hydrochloride17193-39-4 (trans-4-Aminocyclohexyl)acetic acid ethyl ester hydrochloride76308-26-4

Elsewhere

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