(piperidin-3-ylmethyl)(propan-2-yl)amine hydrochloride

• ChemBase ID: 264017
• Molecular Formular: C9H21ClN2
• Molecular Mass: 192.72944
• Monoisotopic Mass: 192.13932636
• SMILES: N1CC(CNC(C)C)CCC1.Cl
• Canonical SMILES: CC(NCC1CCCNC1)C.Cl
• InChI: InChI=1S/C9H20N2.ClH/c1-8(2)11-7-9-4-3-5-10-6-9;/h8-11H,3-7H2,1-2H3;1H
• InChIKey: XEQKLJPHLMEBSG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (piperidin-3-ylmethyl)(propan-2-yl)amine hydrochloride
• IUPAC Traditional name: isopropyl(piperidin-3-ylmethyl)amine hydrochloride
• Synonyms: (piperidin-3-ylmethyl)(propan-2-yl)amine hydrochloride

Database IDs

• MDL Number: MFCD13196232
• PubChem SID: 164319927
• PubChem CID: 45792476

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -5.4065676
• LogD (pH = 7.4): -3.606057
• Log P: 0.72642016
• Molar Refractivity: 48.7364 cm^3
• Polarizability: 19.657892 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.551

Product Information

• Purity: 95%