1,2-Benzenediol, 3,6-bis(1-piperidinylmethyl)-
Basic information
- CAS
25118-08-5- Standard SMILES
Oc1c(CN2CCCCC2)ccc(CN2CCCCC2)c1O- InChIKey
ZJCRVBVYXYXZAS-UHFFFAOYSA-N- Molecular formula
- C18H28N2O2
- Average molar mass
- 304.4 g/mol
- Monoisotopic mass
- 304.21507814
Names & identifiers
- Preferred name
- 1,2-Benzenediol, 3,6-bis(1-piperidinylmethyl)-
- IUPAC
- 3,6-bis(piperidin-1-ylmethyl)benzene-1,2-diol
Names & synonyms
BRN 55730251,2-Benzenediol, 3,6-bis(1-piperidinylmethyl)-25118-08-53,6-Bis(1-piperidinylmethyl)-1,2-benzenediolDTXSID20179808RefChem:215495DTXCID401022993,6-Bis[(piperidin-1-yl)methyl]benzene-1,2-diol
Database identifiers
- CAS
25118-08-5- PubChem CID
- 212839
- DTXSID
DTXSID20179808
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 46.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 295
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Compound notes
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