(S)-Piperidin-3-amine

C₅H₁₂N₂CAS 80918-66-7100.17 g/mol

Open in Covalent MOL file

Primary amine Secondary amine

Properties

Molecular formula: C₅H₁₂N₂
Molar mass: 100.17 g/mol
Exact mass: 100.1000 Da
logP: -0.30Crippen estimate
Polar surface area: 38.0 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 0
Stereocentres: Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

80918-66-7

SMILES

C1C[C@@H](CNC1)N

InChIKey

PEUGKEHLRUVPAN-YFKPBYRVSA-N

InChI

InChI=1S/C5H12N2/c6-5-2-1-3-7-4-5/h5,7H,1-4,6H2/t5-/m0/s1

Weigh it out

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

Names and synonyms

1 names

(S)-3-Aminopiperidine

Work with (S)-Piperidin-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.

(3R)-Piperidin-3-amine127294-73-9Enantiomer 3-Aminopiperidine54012-73-6Stereo not defined Piperidin-3-amine dihydrochloride138060-07-8Salt, stereo not defined (R)-(-)-3-Aminopiperidine dihydrochloride334618-23-4Salt, enantiomer (S)-3-Aminopiperidine dihydrochloride334618-07-4Salt

Similar compounds

(+/-)-3-Amino-homopiperidine69154-03-685 % similar (R)-3-Aminopyrrolidine116183-82-570 % similar (-)-3-Aminopyrrolidine128345-57-370 % similar 3-Aminopyrrolidine79286-79-670 % similar 3-Aminopyrrolidine dihydrochloride103831-11-461 % similar (R)-3-Aminopyrrolidine dihydrochloride116183-81-461 % similar (S)-3-Aminopyrrolidine dihydrochloride116183-83-661 % similar 3-Aminoazetidine102065-86-150 % similar

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

Same formula

Methylpiperazine109-01-3 2-Methylpiperazine109-07-9 4-Piperidinamine13035-19-3 (3S)-(-)-3-(Methylamino)pyrrolidine139015-32-0 (3R)-N-Methyl-3-pyrrolidinamine139015-33-1 1-Aminopiperidine2213-43-6 1,4-Diazacycloheptane505-66-8

Elsewhere

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