1-Methyl-piperidine-4-carboxylic acid

C7H13NO2CAS 68947-43-3143.19 g/mol

Open in Covalent MOL file
NOOH
Carboxylic acidTertiary amine

Properties

Molecular formula
C7H13NO2
Molar mass
143.19 g/mol
Exact mass
143.0946 Da
logP
0.41Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 4 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
68947-43-3
SMILES
CN1CCC(CC1)C(=O)O
InChIKey
HCKNAJXCHMACDN-UHFFFAOYSA-N
InChI
InChI=1S/C7H13NO2/c1-8-4-2-6(3-5-8)7(9)10/h6H,2-5H2,1H3,(H,9,10)

Weigh it out

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

Names and synonyms

1 names
  • 1-Methylpiperidine-4-carboxylic acid

Work with 1-Methyl-piperidine-4-carboxylic 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

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.

1-Methylisonipecotic acid hydrochloride71985-80-3Salt

Similar compounds

1-Methylpiperidine-3-carboxylic acid5657-70-561 % similar 1,4-Cyclohexanedicarboxylic acid1076-97-758 % similar Cyclopropanecarboxylic acid1759-53-158 % similar 1,4-Cyclohexanedicarboxylic acid619-81-858 % similar trans-1,4-Cyclohexanedicarboxylic acid619-82-958 % similar 1-Acetylpiperidine-4-carboxylic acid25503-90-658 % similar 1-Methylpiperidine-3-carboxylic acid hydrochloride19999-64-556 % similar 1-Formylisonipecotic acid84163-42-855 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Ethyl (2E)-3-(dimethylamino)-2-propenoate1117-37-9 Isopropyl β-aminocrotonate14205-46-0 2,2-Diethoxy-1-isocyanoethane15586-32-0 Methyl (3R)-3-piperidinecarboxylate164323-85-7 1,4-Dioxa-8-azaspiro(4.5)decane177-11-7 4-Aminocyclohexanecarboxylic acid1776-53-0 3,3-Diethoxypropiononitrile2032-34-0 N-(2-Hydroxypropyl)methacrylamide21442-01-3

Elsewhere

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