[1-(2-phenylethyl)piperidin-4-yl]methanamine

• ChemBase ID: 268052
• Molecular Formular: C14H22N2
• Molecular Mass: 218.33788
• Monoisotopic Mass: 218.17829871
• SMILES: N1(CCc2ccccc2)CCC(CC1)CN
• Canonical SMILES: NCC1CCN(CC1)CCc1ccccc1
• InChI: InChI=1S/C14H22N2/c15-12-14-7-10-16(11-8-14)9-6-13-4-2-1-3-5-13/h1-5,14H,6-12,15H2
• InChIKey: NPGJAUWAEIPXCP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(2-phenylethyl)piperidin-4-yl]methanamine
• IUPAC Traditional name: [1-(2-phenylethyl)piperidin-4-yl]methanamine
• Synonyms: 1-[1-(2-phenylethyl)piperidin-4-yl]methanamine; [1-(2-phenylethyl)piperidin-4-yl]methanamine

Database IDs

• CAS Number: 127285-09-0
• MDL Number: MFCD07365295
• PubChem SID: 164323962
• PubChem CID: 11458643

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.5665064
• LogD (pH = 7.4): -2.9865525
• Log P: 1.8750824
• Molar Refractivity: 69.5555 cm^3
• Polarizability: 27.36915 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.94

Product Information

• Purity: 95%