Basic information
- CAS
7032-45-3- Standard SMILES
CN1CCN(C(CO)Cc2ccccc2)CC1- InChIKey
KAFRFBDJOILROW-UHFFFAOYSA-N- Molecular formula
- C14H22N2O
- Average molar mass
- 234.34 g/mol
- Monoisotopic mass
- 234.17321333
Names & identifiers
- Preferred name
- 1-Piperazineethanol, beta-benzyl-4-methyl-
- IUPAC
- 2-(4-methylpiperazin-1-yl)-3-phenylpropan-1-ol
Names & synonyms
1-Piperazineethanol, beta-benzyl-4-methyl-7032-45-3RefChem:1056629CHEMBL4061700beta-Benzyl-4-methyl-1-piperazineethanolBRN 06125852-(4-methylpiperazin-1-yl)-3-phenylpropan-1-ol5-23-02-00060 (Beilstein Handbook Reference)DTXSID90990527BDBM50235835
Database identifiers
- CAS
7032-45-3- PubChem CID
- 201863
- DTXSID
DTXSID90990527- ChEMBL
CHEMBL4061700- Nikkaji
- J2.520.132I
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 26.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 208
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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