Basic information
- Standard SMILES
O=C(O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1- InChIKey
YCKSFFKKEWTLIZ-UHFFFAOYSA-N- Molecular formula
- C19H22N2O2
- Average molar mass
- 310.4 g/mol
Names & identifiers
- Preferred name
- (4-Benzhydryl-piperazin-1-yl)-acetic acid
- IUPAC
- 2-(4-benzhydrylpiperazin-1-yl)acetic acid
Names & synonyms
(4-Benzhydryl-piperazin-1-yl)-acetic acid157665-24-22-(4-benzhydrylpiperazin-1-yl)acetic acidAKOS BB-52202-[4-(diphenylmethyl)piperazin-1-yl]acetic acid2-[4-(diphenylmethyl)piperazinyl]acetic acid4957AD(4-benzhydrylpiperazin-1-yl)-acetic acidMLS001208793SCHEMBL1691475CHEMBL1550114YCKSFFKKEWTLIZ-UHFFFAOYSA-N
Show more names
HMS1700H18HMS2817O17SBB027822AKOS000303498DA-09829SMR000524126ST064644
Database identifiers
- PubChem CID
- 4741586
- ChEMBL
CHEMBL1550114- Nikkaji
- J628.876F
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 43.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 350
Experimental & physicochemical properties
Solubility>46.6 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
2 records
Compound notes
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