Basic information
- CAS
62869-67-4- Standard SMILES
C=C(C)C#CC(O)(C(=O)OC1CCN(C)CC1)c1ccccc1- InChIKey
HNFSQQPBCHYZKE-UHFFFAOYSA-N- Molecular formula
- C19H23NO3
- Average molar mass
- 313.4 g/mol
- Monoisotopic mass
- 313.1677936
Names & identifiers
- Preferred name
- Car-302,282
- IUPAC
- (1-methylpiperidin-4-yl) 2-hydroxy-5-methyl-2-phenylhex-5-en-3-ynoate
Names & synonyms
DTXSID401337048CAR-302,282RefChem:1080772DTXCID101767379NSC26354862869-67-4MLS0031153671-Methyl-4-piperidyl phenyl(3-methyl-but-1-yne-3-enyl)glycolateNSC-263548alpha-(3-Methylbut-1-yn-3-enyl)mandelic acid 1-methyl-4-piperidyl esterMANDELIC ACID, alpha-(3-METHYLBUT-1-YN-3-ENYL)-, 1-METHYL-4-PIPERIDYL ESTERCHEMBL1988426
Show more names
NSC 263548NCI60_002106SMR0018309451-methyl-4-piperidinyl 2-hydroxy-5-methyl-2-phenyl-5-hexen-3-ynoate
Database identifiers
- CAS
62869-67-4- PubChem CID
- 44183
- DTXSID
DTXSID401337048- ChEMBL
CHEMBL1988426- Nikkaji
- J147.716A
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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