3-[(3R,4R)-3,4-Dimethyl-4-piperidinyl]phenol

C13H19NOCAS 119193-19-0205.30 g/mol

Open in Covalent MOL file
NHHO
PhenolSecondary amine

Properties

Molecular formula
C13H19NO
Molar mass
205.30 g/mol
Exact mass
205.1467 Da
Melting point
174–175 °C
logP
2.28Crippen estimate
Polar surface area
32.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1
Stereocentres
R, Rin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number
119193-19-0
SMILES
C[C@H]1CNCC[C@@]1(C)c1cccc(O)c1
InChIKey
HXZDAOSDNCHKFE-GXFFZTMASA-N
InChI
InChI=1S/C13H19NO/c1-10-9-14-7-6-13(10,2)11-4-3-5-12(15)8-11/h3-5,8,10,14-15H,6-7,9H2,1-2H3/t10-,13+/m0/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

7 names
  • Phenol, 3-[(3R,4R)-3,4-dimethyl-4-piperidinyl]-
  • Phenol, 3-(3,4-dimethyl-4-piperidinyl)-, (3R-cis)-
  • (+)-(3R,4R)-Dimethyl-4-(3-hydroxyphenyl)piperidine
  • (+)-(3R,4R)-3,4-Dimethyl-4-(3-hydroxyphenyl)piperidine
  • (3R,4R)-3,4-Dimethyl-4-(3-hydroxyphenyl)piperidine
  • (3R,4R)-3-(3,4-Dimethyl-4-piperidinyl)phenol
  • 3-[(3R,4R)-3,4-Dimethylpiperidin-4-yl]phenol

Work with 3-[(3R,4R)-3,4-Dimethyl-4-piperidinyl]phenol

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

3-tert-Butylphenol585-34-245 % similar Alvimopan156053-89-339 % similar 3-(Trifluoromethyl)phenol98-17-938 % similar Alvimopan dihydrate170098-38-138 % similar 3-Isopropylphenol618-45-135 % similar (-)-Phenylephrine59-42-735 % similar 1-(3-Hydroxyphenyl)piperazine59817-32-234 % similar Etilefrine hydrochloride943-17-934 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(1S,2R)-1-Phenyl-2-(1-pyrrolidinyl)propan-1-ol123620-80-4 N,N-Bis(1-methylethyl)benzamide20383-28-2 (1R,2R)-trans-2-Benzyloxy-cyclohexylamine216394-06-8 (1S,2S)-trans-2-Benzyloxy-cyclohexylamine216394-07-9 trans-2-Benzylamino-1-cyclohexanol40571-86-6 1-(Phenylmethyl)-4-piperidinemethanol67686-01-5

Elsewhere

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