Basic information
- Standard SMILES
O=C(Cc1ccc(Cl)c(Cl)c1)C1(CN2CCCCC2)NCCc2[nH]c3ccccc3c21- InChIKey
ULPPATFYGHJJFS-UHFFFAOYSA-N- Molecular formula
- C25H27Cl2N3O
- Average molar mass
- 456.4 g/mol
- Monoisotopic mass
- 455.1531179
Names & identifiers
- Preferred name
- 1-(piperidin-1-yl)methyl-2-(3,4-dichlorophenyl)acetyl-1,2,3,4-tetrahydro-5H-pyrido[4,3-b]indole
- IUPAC
- 2-(3,4-dichlorophenyl)-1-[1-(piperidin-1-ylmethyl)-2,3,4,5-tetrahydropyrido[4,3-b]indol-1-yl]ethanone
Names & synonyms
SCHEMBL9214013ULPPATFYGHJJFS-UHFFFAOYSA-N1-(piperidin-1-yl)methyl-2-(3,4-dichlorophenyl)acetyl-1,2,3,4-tetrahydro-5H-pyrido[4,3-b]indole
Database identifiers
- PubChem CID
- 67796181
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 48.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 642
Related reactions
1 records
Compound notes
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