(S)-Piperidin-3-amine

C5H12N2CAS 80918-66-7100.17 g/mol

Open in Covalent MOL file
HNNH2
Primary amineSecondary 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 Ų
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 (R)-(-)-3-Aminopiperidine dihydrochloride334618-23-4Salt, enantiomer Piperidin-3-amine dihydrochloride138060-07-8Salt, stereo not defined (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

PubChem CAS Common Chemistry NIST WebBook