2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-propanol
Basic information
- CAS
94071-15-5- Standard SMILES
OCCCC1NCCc2c1[nH]c1ccccc21- InChIKey
XQJOQBSYNVJACP-UHFFFAOYSA-N- Molecular formula
- C14H18N2O
- Average molar mass
- 230.31 g/mol
- Monoisotopic mass
- 230.1419132
Names & identifiers
- Preferred name
- 2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-propanol
- IUPAC
- 3-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)propan-1-ol
- English name
- 2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-propanol
- Molecular formula
- C14H18N2O
- Molecular weight
- 230.31
Names & synonyms
94071-15-5EINECS 301-816-22,3,4,9-Tetrahydro-1H-pyrido(3,4-b)indole-1-propanol2,3,4,9-TETRAHYDRO-1H-PYRIDO[3,4-B]INDOLE-1-PROPANOLRefChem:81294301-816-23-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)propan-1-olCHEMBL5406167DTXSID10916587XQJOQBSYNVJACP-UHFFFAOYSA-NNS000624511-(3-Hydroxypropyl)-1,2,3,4-tetrahydro-β-carboline
Show more names
1H-Pyrido[3,4-b]indole-1-propanol, 2,3,4,9-tetrahydro-2,3,4,9-Tetrahydro-1H-pyrido[3,4-b]indole-1-(1-propanol)
Database identifiers
- CAS
94071-15-5- PubChem CID
- 150376
- DTXSID
DTXSID10916587- ChEMBL
CHEMBL5406167- EC Number
- 301-816-2
- Nikkaji
- J368.001K
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 48.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 259
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Compound notes
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