(4-propylpiperidin-4-yl)methanol

• ChemBase ID: 309336
• Molecular Formular: C9H19NO
• Molecular Mass: 157.25326
• Monoisotopic Mass: 157.14666423
• SMILES: N1CCC(CO)(CCC)CC1
• Canonical SMILES: CCCC1(CO)CCNCC1
• InChI: InChI=1S/C9H19NO/c1-2-3-9(8-11)4-6-10-7-5-9/h10-11H,2-8H2,1H3
• InChIKey: PZIVEJUFTRGEJQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-propylpiperidin-4-yl)methanol
• IUPAC Traditional name: (4-propylpiperidin-4-yl)methanol
• Synonyms: (4-propyl-4-piperidinyl)methanol

Database IDs

• CAS Number: 1243250-07-8
• MDL Number: MFCD17078871

CALCULATED PROPERTIES

• Polarizability: 18.725828 Å^3
• Polar Surface Area: 32.26 Å^2
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.3669324
• LogD (pH = 7.4): -1.6772757
• Log P: 0.85292006
• Molar Refractivity: 46.8358 cm^3