(1-propylpiperidin-4-yl)methanamine

• ChemBase ID: 18867
• Molecular Formular: C9H20N2
• Molecular Mass: 156.2685
• Monoisotopic Mass: 156.16264865
• SMILES: N1(CCC(CC1)CN)CCC
• Canonical SMILES: CCCN1CCC(CC1)CN
• InChI: InChI=1S/C9H20N2/c1-2-5-11-6-3-9(8-10)4-7-11/h9H,2-8,10H2,1H3
• InChIKey: QSUUJNCKEJEANG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-propylpiperidin-4-yl)methanamine
• IUPAC Traditional name: (1-propylpiperidin-4-yl)methanamine
• Synonyms: 1-(1-propylpiperidin-4-yl)methanamine; (1-propylpiperidin-4-yl)methanamine; C-(1-Propyl-piperidin-4-yl)-methylamine

Database IDs

• CAS Number: 392691-05-3
• MDL Number: MFCD07186440
• PubChem SID: 160982174
• PubChem CID: 3164324

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

Physical Property

• Hydrophobicity(logP): 1.071

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%