1-(Phenylmethyl)-4-piperidinecarboxaldehyde

C₁₃H₁₇NOCAS 22065-85-6203.28 g/mol

Open in Covalent MOL file

Aldehyde Tertiary amine

Properties

Molecular formula: C₁₃H₁₇NO
Molar mass: 203.28 g/mol
Exact mass: 203.1310 Da
Melting point: 145–149 °C
logP: 2.10Crippen estimate
Polar surface area: 20.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 3

Hazards

Danger

H301 Toxic if swallowed89.4% of notifiers
H315 Causes skin irritation10.6% of notifiers
H318 Causes serious eye damage89.4% of notifiers
H319 Causes serious eye irritation10.6% of notifiers

Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P316, P302+P352, P305+P351+P338, P305+P354+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, P405, P501

Identifiers

CAS number

22065-85-6

SMILES

O=CC1CCN(Cc2ccccc2)CC1

InChIKey

SGIBOXBBPQRZDM-UHFFFAOYSA-N

InChI

InChI=1S/C13H17NO/c15-11-13-6-8-14(9-7-13)10-12-4-2-1-3-5-12/h1-5,11,13H,6-10H2

Weigh it out

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

Names and synonyms

12 names

4-Piperidinecarboxaldehyde, 1-(phenylmethyl)-
Isonipecotaldehyde, 1-benzyl-
1-Benzyl-4-formylpiperidine
4-Formyl-1-benzylpiperidine
1-Benzyl-4-piperidinecarboxaldehyde
N-Benzyl-4-piperidinecarbaldehyde
N-(Phenylmethyl)piperidine-4-carboxaldehyde
4-Formyl-1-(phenylmethyl)piperidine
N-Benzyl-4-formylpiperidine
1-Benzyl-piperidine-4-carbaldehyde
1-Benzylpiperidine-4-carbaldehyde
N-Benzylpiperidine-4-carboxaldehyde

Work with 1-(Phenylmethyl)-4-piperidinecarboxaldehyde

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-Benzylpiperidin-4-ol4727-72-458 % similar 1-Benzyl-4-piperidylamine50541-93-058 % similar 1-Benzyl-4-chloropiperidine67848-71-958 % similar 1,4,7,10-Tetrabenzyl-1,4,7,10-tetraazacyclododecane18084-64-557 % similar 1-Benzyl-4-(phenylamino)piperidine1155-56-254 % similar 1-(Phenylmethyl)-4-piperidinemethanol67686-01-554 % similar N-Methyl-1-(phenylmethyl)-4-piperidinamine7006-50-054 % similar (1-Benzyl-4-piperidinyl)methylamine88915-26-854 % similar

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

Same formula

4'-Piperidinoacetophenone10342-85-5 1-Benzyl-hexahydro-4H-azepin-4-one1208-75-9 4-Benzylaminocyclohexanone142009-99-2 2-Isocyanato-1,3-bis(1-methylethyl)benzene28178-42-9 1-Benzyl-3-methylpiperidin-4-one34737-89-8 N-Phenethyl-4-piperidinone39742-60-4 2,6,7,8-Tetrahydro-1H-indeno[5,4-B]furan-8-ylethylamine448964-37-2 Crotamiton483-63-6

Elsewhere

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