(3R,4R)-1-Benzyl-N,4-dimethylpiperidin-3-amine

C14H22N2CAS 477600-70-7218.34 g/mol

Open in Covalent MOL file
NNH
Secondary amineTertiary amine

Properties

Molecular formula
C14H22N2
Molar mass
218.34 g/mol
Exact mass
218.1783 Da
logP
2.12Crippen estimate
Polar surface area
15.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
3
Stereocentres
R, Rin SMILES atom order

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

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

Precautionary statements

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

Identifiers

CAS number
477600-70-7
SMILES
C[C@@H]1CCN(C[C@@H]1NC)CC2=CC=CC=C2
InChIKey
NVKDDQBZODSEIN-OCCSQVGLSA-N
InChI
InChI=1S/C14H22N2/c1-12-8-9-16(11-14(12)15-2)10-13-6-4-3-5-7-13/h3-7,12,14-15H,8-11H2,1-2H3/t12-,14+/m1/s1

Weigh it out

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

Work with (3R,4R)-1-Benzyl-N,4-dimethylpiperidin-3-amine

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

1-Benzyl-N,4-dimethyl-piperidin-3-amine dihydrochloride, (3R,4R)-1062580-52-2Salt (3S,4S)-1-Benzyl-N,4-dimethylpiperidin-3-amine hydrochloride477600-68-3Salt 3-Piperidinamine, N,4-dimethyl-1-(phenylmethyl)-, hydrochloride (1:2)1228879-37-5Salt, stereo not defined

Similar compounds

(3S)-(+)-1-Benzyl-3-(methylamino)pyrrolidine169749-99-966 % similar N-Methyl-1-(phenylmethyl)-4-piperidinamine7006-50-061 % similar 3-Methyl-1-(phenylmethyl)piperazine3138-90-749 % similar (3S)-1-(Phenylmethyl)-3-pyrrolidinol101385-90-449 % similar (R)-(+)-1-Benzyl-3-pyrrolidinol101930-07-849 % similar (3S)-(+)-1-Benzyl-3-aminopyrrolidine114715-38-749 % similar (3R)-1-Benzylpyrrolidin-3-amine114715-39-849 % similar 1-Benzyl-4-(phenylamino)piperidine1155-56-249 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

[2-(2-Ethyl-1-piperidinyl)phenyl]methanamine1094828-99-5 2-(1-Benzylpiperidin-4-yl)ethan-1-amine86945-25-7 2-(Aminomethyl)-N-cyclohexyl-N-methylaniline893752-73-3

Elsewhere

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