1H-Azepino(5,4,3-cd)indole, 3,4,5,6-tetrahydro-6-methyl-2-piperidinomethyl-
Basic information
- CAS
66968-16-9- Standard SMILES
CC1NCCc2c(CN3CCCCC3)[nH]c3cccc1c23- InChIKey
LFPFDGKIXLUZMH-UHFFFAOYSA-N- Molecular formula
- C18H25N3
- Average molar mass
- 283.4 g/mol
- Monoisotopic mass
- 283.20484781
Names & identifiers
- Preferred name
- 1H-Azepino(5,4,3-cd)indole, 3,4,5,6-tetrahydro-6-methyl-2-piperidinomethyl-
- IUPAC
- 9-methyl-2-(piperidin-1-ylmethyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene
- English name
- 3,4,5,6-Tetrahydro-6-methyl-2-piperidinomethyl-1H-azepino[5,4,3-cd]indole
- Molecular formula
- C18H25N3
- Molecular weight
- 283.41
Names & synonyms
BRN 08903476-Methyl-2-piperidinomethyl-3,4,5,6-tetrahydro-1H-azepino(5,4,3-cd)indole66968-16-91H-AZEPINO(5,4,3-cd)INDOLE, 3,4,5,6-TETRAHYDRO-6-METHYL-2-PIPERIDINOMETHYL-RefChem:237399DTXSID809857406-Methyl-2-[(piperidin-1-yl)methyl]-3,4,5,6-tetrahydro-1H-azepino[5,4,3-cd]indole3,4,5,6-Tetrahydro-6-methyl-2-piperidinomethyl-1H-azepino[5,4,3-cd]indole1H-Pyrrolo[4,3,2-ef][2]benzazepine, 3,4,5,6-tetrahydro-6-methyl-2-(1-piperidinylmethyl)-
Database identifiers
- CAS
66968-16-9- PubChem CID
- 48715
- DTXSID
DTXSID80985740- Nikkaji
- J84.653H
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 31.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 352
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Compound notes
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