chempirical

4-Hydroxy-1-(phenylmethyl)-4-piperidinecarbonitrile

C13H16N2OCAS 6094-60-6216.28 g/mol

Open in Covalent MOL file
NHON
AlcoholNitrileTertiary amine

Properties

Molecular formula
C13H16N2O
Molar mass
216.28 g/mol
Exact mass
216.1263 Da
Melting point
102 °C
logP
1.54Crippen estimate
Polar surface area
47.3 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Identifiers

CAS number
6094-60-6
SMILES
N#CC1(O)CCN(Cc2ccccc2)CC1
InChIKey
XQRLXUYZKZXSBN-UHFFFAOYSA-N
InChI
InChI=1S/C13H16N2O/c14-11-13(16)6-8-15(9-7-13)10-12-4-2-1-3-5-12/h1-5,16H,6-10H2

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

Names and synonyms

5 names
  • 4-Piperidinecarbonitrile, 4-hydroxy-1-(phenylmethyl)-
  • Isonipecotonitrile, 1-benzyl-4-hydroxy-
  • 1-Benzyl-4-hydroxypiperidine-4-carbonitrile
  • 1-Benzyl-4-hydroxypiperidin-4-carbonitrile
  • 1-Benzyl-4-cyano-4-hydroxypiperidine

Work with 4-Hydroxy-1-(phenylmethyl)-4-piperidinecarbonitrile

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

1-Benzyl-4-cyano-4-phenylpiperidine hydrochloride71258-18-957 % similar 1,4,7,10-Tetrabenzyl-1,4,7,10-tetraazacyclododecane18084-64-552 % similar 2,2′-[(Phenylmethyl)imino]bis[ethanol]101-32-649 % similar 1-Benzylpiperidine2905-56-847 % similar 1-Benzyl-4-hydroxypiperidine4727-72-445 % similar 2-[Bis(phenylmethyl)amino]ethanol101-06-444 % similar 1-Benzylpiperazine2759-28-644 % similar 8-(Phenylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione28936-94-943 % similar

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

Same formula

3-[Ethyl(4-formyl-3-methylphenyl)amino]propanenitrile119-97-1

Elsewhere

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