Basic information
- CAS
72241-99-7- Standard SMILES
c1ccc(C2(N3CCCCC3)C3CC4CC(C3)CC2C4)cc1- InChIKey
KBLCCZWZKWPYJM-UHFFFAOYSA-N- Molecular formula
- C21H29N
- Average molar mass
- 295.5 g/mol
- Monoisotopic mass
- 295.22999993
Overview
rigid adamantanyl analog of phencyclidine; RN given refers to parent cpd; structure given in first source
Names & identifiers
- Preferred name
- Phenyladamantylpiperidine
- IUPAC
- 1-(2-phenyl-2-adamantyl)piperidine
- English name
- phenyladamantylpiperidine
- Molecular weight
- 0
Names & synonyms
Phenyladamantylpiperidine72241-99-7RefChem:1730001-(2-Phenyl-2-adamantyl)piperidineBRN 12566861-(2-PHENYLADAMANTAN-2-YL)PIPERIDINEDTXSID109929821-(2-Phenyltricyclo(3.3.1.1(sup 3,7))dec-2-yl)piperidinePiperidine, 1-(2-phenyltricyclo(3.3.1.1(sup 3,7))dec-2-yl)-5-20-02-00089 (Beilstein Handbook Reference)
Database identifiers
- CAS
72241-99-7- PubChem CID
- 64488
- DTXSID
DTXSID10992982- Nikkaji
- J549.899F
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 374
Experimental & physicochemical properties
DrugsDEA NFLIS-Drug Category -> New Drug
Chemistry & industry
Suppliers1 total
Zhejiang J&C Biological Technology Co.,Limited+1-2135480471 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…