1-benzyl-N-cyclopropylpiperidin-4-amine

• ChemBase ID: 10234
• Molecular Formular: C15H22N2
• Molecular Mass: 230.34858
• Monoisotopic Mass: 230.17829871
• SMILES: C1C(CCN(C1)Cc1ccccc1)NC1CC1
• Canonical SMILES: C1CN(CCC1NC1CC1)Cc1ccccc1
• InChI: InChI=1S/C15H22N2/c1-2-4-13(5-3-1)12-17-10-8-15(9-11-17)16-14-6-7-14/h1-5,14-16H,6-12H2
• InChIKey: GARBAAKWXMLSOF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-benzyl-N-cyclopropylpiperidin-4-amine
• IUPAC Traditional name: 1-benzyl-N-cyclopropylpiperidin-4-amine
• Synonyms: 1-Benzyl-4-cyclopropylaminopiperidine

Database IDs

• CAS Number: 387358-47-6
• MDL Number: MFCD01308091
• PubChem SID: 160973541
• PubChem CID: 2735481

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.008016
• LogD (pH = 7.4): -1.0118507
• Log P: 2.0239654
• Molar Refractivity: 71.9683 cm^3
• Polarizability: 28.551031 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 118°C/0.075mm; 118°C/0.1mm

Safety Information

• Storage Warning: Irritant
• TSCA Listed: false