4-Piperidinol, 1-benzyl-4-ethynyl-3-(1-(3-indolyl)ethyl)-
Basic information
- CAS
39002-10-3- Standard SMILES
C#CC1(O)CCN(Cc2ccccc2)CC1C(C)c1c[nH]c2ccccc12- InChIKey
OUYNHZITBWSXDY-UHFFFAOYSA-N- Molecular formula
- C24H26N2O
- Average molar mass
- 358.5 g/mol
- Monoisotopic mass
- 358.20451346
Names & identifiers
- Preferred name
- 4-Piperidinol, 1-benzyl-4-ethynyl-3-(1-(3-indolyl)ethyl)-
- IUPAC
- 1-benzyl-4-ethynyl-3-[1-(1H-indol-3-yl)ethyl]piperidin-4-ol
Names & synonyms
ICIG 778BRN 076423039002-10-34-Piperidinol, 4-ethynyl-3-(1-(1H-indol-3-yl)ethyl)-1-(phenylmethyl)-1-Benzyl-4-ethynyl-3-(1-(3-indolyl)ethyl)-4-piperidinol4-Piperidinol, 1-benzyl-4-ethynyl-3-(1-(3-indolyl)ethyl)-N-Benzyl 3-(alpha-(3'-indolyl)ethyl)-4-hydroxy-4-ethinylpiperidine5-23-12-00266 (Beilstein Handbook Reference)RefChem:2957591-benzyl-4-ethynyl-3-[1-(1h-indol-3-yl)ethyl]piperidin-4-olDTXSID00959842
Database identifiers
- CAS
39002-10-3- PubChem CID
- 217617
- DTXSID
DTXSID00959842
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 39.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 548
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Compound notes
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