1-Isopropylpiperidine-2-carboxylic acid
Basic information
- CAS
1218651-70-7- Standard SMILES
CC(C)N1CCCCC1C(=O)O- InChIKey
QFLCTAXQTJMMJD-UHFFFAOYSA-N- Molecular formula
- C9H17NO2
- Average molar mass
- 171.24 g/mol
- Monoisotopic mass
- 171.12592879
Names & identifiers
- Preferred name
- 1-Isopropylpiperidine-2-carboxylic acid
- IUPAC
- 1-propan-2-ylpiperidine-2-carboxylic acid
- English name
- 1-isopropylpipecolinic acid
- Molecular formula
- C9H17NO2
- Molecular weight
- 171.24
Names & synonyms
1-ISOPROPYLPIPERIDINE-2-CARBOXYLIC ACID1218651-70-71-(propan-2-yl)piperidine-2-carboxylic acid2-piperidinecarboxylic acid, 1-(1-methylethyl)-MFCD121709641-propan-2-ylpiperidine-2-carboxylic acidSCHEMBL584218SCHEMBL28299734ALBB-029728AKOS009485267SB41468LS-10595
Show more names
1-isopropylpipecolinic acid1-isopropyl-2-piperidinecarboxylic acid
DB-060592DB-354097CS-04556752-piperidinecarboxylicacid,1-(1-methylethyl)-H44922
Database identifiers
- CAS
1218651-70-7- PubChem CID
- 22016550
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 168
Physicochemical properties
- Boiling point
- 271.6 · 271.6±33.0 °C(Predicted)
- Density
- 1.057 · 1.057±0.06 g/cm3(Predicted)
- pka
- 2.45 · 2.45±0.20(Predicted)
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Related reactions
1 records
Compound notes
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