Completing data — refresh the page later to see the latest
Basic information
- CAS
73278-92-9- Standard SMILES
NCCSCc1cccc(CN2CCCCC2)c1- InChIKey
QSQXZIGDXNOUQA-UHFFFAOYSA-N- Molecular formula
- C15H24N2S
- Average molar mass
- 264.4 g/mol
- Monoisotopic mass
- 264.16601977
Names & identifiers
- Preferred name
- 2-[[[3-(1-Piperidinylmethyl)phenyl]methyl]thio]ethanamine
- IUPAC
- 2-[[3-(piperidin-1-ylmethyl)phenyl]methylsulfanyl]ethanamine
Names & synonyms
2-[[[3-(1-Piperidinylmethyl)phenyl]methyl]thio]ethanamineSCHEMBL10668086QSQXZIGDXNOUQA-UHFFFAOYSA-NDTXSID90119653673278-92-92-[({3-[(Piperidin-1-yl)methyl]phenyl}methyl)sulfanyl]ethan-1-amine
Database identifiers
- CAS
73278-92-9- PubChem CID
- 21297544
- DTXSID
DTXSID901196536
Properties
Computed structural propertiesFilling in
- XLogP
- 2.1
- Topological polar surface area
- 54.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 217
Related reactions
4 records
Compound notes
Loading…