(1-propylpiperidin-4-yl)methanamine hydrochloride

• ChemBase ID: 294672
• Molecular Formular: C9H21ClN2
• Molecular Mass: 192.72944
• Monoisotopic Mass: 192.13932636
• SMILES: NCC1CCN(CCC)CC1.Cl
• Canonical SMILES: CCCN1CCC(CC1)CN.Cl
• InChI: InChI=1S/C9H20N2.ClH/c1-2-5-11-6-3-9(8-10)4-7-11;/h9H,2-8,10H2,1H3;1H
• InChIKey: OSVHQUXUPTVHMW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-propylpiperidin-4-yl)methanamine hydrochloride
• IUPAC Traditional name: (1-propylpiperidin-4-yl)methanamine hydrochloride
• Synonyms: (1-Propylpiperidin-4-yl)methanamine hydrochloride

Database IDs

• PubChem SID: 180680203
• PubChem CID: 71748349

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -5.7507
• LogD (pH = 7.4): -4.5050807
• Log P: 0.74127835
• Molar Refractivity: 49.4605 cm^3
• Polarizability: 19.657892 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%