3-(1-Methyl-4-piperidinyl)-1H-indol-5-ol

C₁₄H₁₈N₂OCAS 57477-39-1230.31 g/mol

Open in Covalent MOL file

Phenol Tertiary amine

Properties

Molecular formula: C₁₄H₁₈N₂O
Molar mass: 230.31 g/mol
Exact mass: 230.1419 Da
logP: 2.68Crippen estimate
Polar surface area: 39.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Identifiers

CAS number

57477-39-1

SMILES

CN1CCC(c2c[nH]c3ccc(O)cc23)CC1

InChIKey

WKNFADCGOAHBPG-UHFFFAOYSA-N

InChI

InChI=1S/C14H18N2O/c1-16-6-4-10(5-7-16)13-9-15-14-3-2-11(17)8-12(13)14/h2-3,8-10,15,17H,4-7H2,1H3

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Names and synonyms

2 names

1H-Indol-5-ol, 3-(1-methyl-4-piperidinyl)-
BRL 54443

Work with 3-(1-Methyl-4-piperidinyl)-1H-indol-5-ol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Naratriptan121679-13-854 % similar N-Methyl-3-(1-methyl-4-piperidinyl)-1H-indole-5-ethanesulfonamide hydrochloride143388-64-151 % similar Serotonin50-67-943 % similar Serotonin hydrochloride153-98-040 % similar 5-Hydroxyindoleacetic acid1321-73-939 % similar 5-Hydroxyindoleacetic acid54-16-039 % similar N-Acetylserotonin1210-83-939 % similar (±)-5-Hydroxytryptophan114-03-438 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Propyphenazone479-92-5 Ibudilast50847-11-5

Elsewhere

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