2-(Piperidin-1-yl)benzaldehyde

C₁₂H₁₅NOCAS 34595-26-1189.26 g/mol

Open in Covalent MOL file

Aldehyde Tertiary amine

Properties

Molecular formula: C₁₂H₁₅NO
Molar mass: 189.26 g/mol
Exact mass: 189.1154 Da
logP: 2.49Crippen estimate
Polar surface area: 20.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Hazards

Danger

H302 Harmful if swallowed66.7% of notifiers
H312 Harmful in contact with skin33.3% of notifiers
H315 Causes skin irritation66.7% of notifiers
H318 Causes serious eye damage33.3% of notifiers
H319 Causes serious eye irritation66.7% of notifiers
H332 Harmful if inhaled33.3% of notifiers
H335 May cause respiratory irritation66.7% of notifiers
H412 Harmful to aquatic life with long lasting effects33.3% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

34595-26-1

SMILES

C1CCN(CC1)C2=CC=CC=C2C=O

InChIKey

SMABIQIPGVQEEX-UHFFFAOYSA-N

InChI

InChI=1S/C12H15NO/c14-10-11-6-2-3-7-12(11)13-8-4-1-5-9-13/h2-3,6-7,10H,1,4-5,8-9H2

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

Names and synonyms

1 names

2-Piperidin-1-yl-benzaldehyde

Work with 2-(Piperidin-1-yl)benzaldehyde

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

2-Morpholinobenzaldehyde58028-76-569 % similar 2-Piperazin-1-yl-benzaldehyde736991-52-969 % similar 2-(4-Methylpiperazino)benzaldehyde85803-62-967 % similar 2-(4-Benzylpiperazin-1-yl)benzaldehyde112253-26-661 % similar 2-(Piperidin-1-yl)aniline39643-31-748 % similar Phthalaldehyde643-79-848 % similar 2-Piperidin-1-yl-benzonitrile72752-52-446 % similar 2-(Pyrrolidin-1-yl)phenol4787-77-345 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-(Piperidin-1-yl)benzaldehyde10338-57-5 1-Benzyl-4-piperidone3612-20-2 4-Butoxyphenylacetonitrile38746-93-9 1-Benzyl-3-piperidone40114-49-6 8-Hydroxyjulolidine41175-50-2 7-Ethyl-1H-indole-3-ethanol41340-36-7 Benzoylpiperidine776-75-0

Elsewhere

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