1-(2-Pyrimidinyl)-4-piperidinecarboxylic acid

C₁₀H₁₃N₃O₂CAS 303144-44-7207.23 g/mol

Open in Covalent MOL file

Carboxylic acid Tertiary amine

Properties

Molecular formula: C₁₀H₁₃N₃O₂
Molar mass: 207.23 g/mol
Exact mass: 207.1008 Da
logP: 0.78Crippen estimate
Polar surface area: 66.3 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 2

Hazards

Warning

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

Aggregated from 5 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

303144-44-7

SMILES

O=C(O)C1CCN(c2ncccn2)CC1

InChIKey

DYVXURZASBPYFR-UHFFFAOYSA-N

InChI

InChI=1S/C10H13N3O2/c14-9(15)8-2-6-13(7-3-8)10-11-4-1-5-12-10/h1,4-5,8H,2-3,6-7H2,(H,14,15)

Weigh it out

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

Names and synonyms

2 names

4-Piperidinecarboxylic acid, 1-(2-pyrimidinyl)-
1-(Pyrimidin-2-yl)piperidine-4-carboxylic acid

Work with 1-(2-Pyrimidinyl)-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-(Pyridin-4-yl)piperidine-4-carboxylic acid93913-86-159 % similar 1-Methyl-piperidine-4-carboxylic acid68947-43-350 % similar 5'-Trifluoromethyl-3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-4-carboxylic acid406476-31-148 % similar 1-Benzylpiperidine-4-carboxylic acid10315-07-848 % similar 1-Benzoylpiperidine-4-carboxylic acid5274-99-747 % similar 1-Methylisonipecotic acid hydrochloride71985-80-346 % similar 1,4-Cyclohexanedicarboxylic acid1076-97-744 % similar Cyclopropanecarboxylic acid1759-53-144 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-(4-Hydrazinobenzyl)-2-oxazolidinone171550-12-2 1-(2-Nitrophenyl)piperazine59084-06-9 1-(4-Nitrophenyl)piperazine6269-89-2 1,1-Dimethylethyl N-(2-cyano-1H-pyrrol-1-yl)carbamate937046-96-3

Elsewhere

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