1-Ethylpiperidine-4-carboxylic acid

HCID 18783773CAS 90204-94-7

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Basic information

Standard SMILES: CCN1CCC(C(=O)O)CC1
InChIKey: IDHMTYNXPJWISA-UHFFFAOYSA-N
Molecular formula: C8H15NO2
Average molar mass: 157.21 g/mol
Monoisotopic mass: 157.11027872

Names & identifiers

Preferred name: 1-Ethylpiperidine-4-carboxylic acid
IUPAC: 1-ethylpiperidine-4-carboxylic acid
English name: 1-ETHYLPIPERIDINE-4-CARBOXYLIC ACID
Molecular formula: C8H15NO2
Molecular weight: 157.21

Names & synonyms

1-ethylpiperidine-4-carboxylic acid90204-94-7DTXSID10596222RefChem:230405DTXCID105469841-Ethyl-piperidine-4-carboxylic acidMFCD090551794-Piperidinecarboxylic acid, 1-ethyl-SCHEMBL855052SCHEMBL4895837SCHEMBL4895839IDHMTYNXPJWISA-UHFFFAOYSA-N

Show more names

1-ethylisonipecotic acid1-Ethyl-4-piperidinecarboxylic acid1-Ethyl-piperidine-4-carboxylic acid HCl1-ethylpiperidine-4-carboxylic acid(SALTDATA: HCl)

ethyl-piperidine-4-carboxylic acidALBB-0222621-(ethyl)piperidine-4-carboxylic acidAKOS000111526AB91825AS-39551DA-19479SY078207

Database identifiers

CAS: 90204-94-7
PubChem CID: 18783773
DTXSID: DTXSID10596222

Properties

Computed structural properties

XLogP: -1.6
Topological polar surface area: 40.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 139

Physicochemical properties

Boiling point: 262.7 · 262.7±33.0 °C(Predicted)
Density: 1.067 · 1.067±0.06 g/cm3(Predicted)
storage temp.: Store at Room Tem.
solubility: Methanol
form: Solid
pka: 4.04 · 4.04±0.20(Predicted)
color: White
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
HazardClass: IRRITANT

Safety & regulation

Safety data

Signal word: Warning
Symbol(GHS): GHS07
hazard_class: IRRITANT
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P305+P351+P338

Chemistry & industry

Applications

Uses1-Ethylpiperidine-4-carboxylic Acid is an intermediate in the synthesis of PARP-1 inhibitors, involved in DNA repair, and RNA transcription modulation.