(3S)-N-(propan-2-yl)piperidin-3-amine dihydrochloride

• ChemBase ID: 90813
• Molecular Formular: C8H20Cl2N2
• Molecular Mass: 215.1638
• Monoisotopic Mass: 214.10035401
• SMILES: N1C[C@@H](NC(C)C)CCC1.Cl.Cl
• Canonical SMILES: CC(N[C@H]1CCCNC1)C.Cl.Cl
• InChI: InChI=1S/C8H18N2.2ClH/c1-7(2)10-8-4-3-5-9-6-8;;/h7-10H,3-6H2,1-2H3;2*1H/t8-;;/m0../s1
• InChIKey: AOYQHHUODBDGKX-JZGIKJSDSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3S)-N-(propan-2-yl)piperidin-3-amine dihydrochloride
• IUPAC Traditional name: (3S)-N-isopropylpiperidin-3-amine dihydrochloride
• Synonyms: (3S)-3-[(Prop-2-yl)amino]piperidine dihydrochloride; (3S)-N-(Prop-2-yl)piperidin-3-amine dihydrochloride; (3S)-N-Isopropylpiperidin-3-amine dihydrochloride; (3S)-3-(Isopropylamino)piperidine dihydrochloride

Database IDs

• PubChem SID: 162104820
• PubChem CID: 53256911

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -4.0670795
• LogD (pH = 7.4): -2.0056
• Log P: 0.68166566
• Molar Refractivity: 43.7964 cm^3
• Polarizability: 17.811394 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Irritant