(R)-Piperidine-3-carboxylic acid ethyl ester hydrochloride

C8H16ClNO2CAS 37675-19-7193.67 g/mol

Open in Covalent MOL file
OONHHCl
EsterSecondary amine

Properties

Molecular formula
C8H16ClNO2
Molar mass
193.67 g/mol
Exact mass
193.0870 Da
logP
0.97Crippen estimate
Polar surface area
38.3 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2
Stereocentres
Rin SMILES atom order

Hazards

Warning
Irritant (GHS07)

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
37675-19-7
SMILES
CCOC(=O)[C@@H]1CCCNC1.Cl
InChIKey
ZCEGLOKZSLNARG-OGFXRTJISA-N
InChI
InChI=1S/C8H15NO2.ClH/c1-2-11-8(10)7-4-3-5-9-6-7;/h7,9H,2-6H2,1H3;1H/t7-;/m1./s1

Weigh it out

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

Work with (R)-Piperidine-3-carboxylic acid ethyl 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.

(-)-Ethyl nipecotate25137-01-3Free base (+)-Ethyl nipecotate37675-18-6Free base, enantiomer Ethyl nipecotate5006-62-2Free base, stereo not defined Ethyl nipecotate71962-74-8Free base, stereo not defined Ethyl (R)-nipecotate L-tartarate167392-57-6Salt

Similar compounds

Ethyl pyrrolidine-3-carboxylate hydrochloride80028-44-082 % similar (S)-3-Methyl piperidine carboxylate hydrochloride164323-84-668 % similar Methyl (3R)-3-piperidinecarboxylate164323-85-759 % similar Methyl piperidine-3-carboxylate50585-89-259 % similar H-D-Pro-oet hcl131477-20-859 % similar Ethyl cyclobutanecarboxylate14924-53-959 % similar Ethyl isonipecotate1126-09-658 % similar Ethyl cyclohexanecarboxylate3289-28-957 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Piperidine-4-carboxylic acid ethyl ester hydrochloride147636-76-8 Acryloyloxyethyltrimethylammonium chloride44992-01-0 Methyl trans-4-aminocyclohexanecarboxylate hydrochloride61367-07-5 Piperidin-4-yl-acetic acid methyl ester hydrochloride81270-37-3

Elsewhere

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