(3-propylpiperidin-3-yl)methanol

• ChemBase ID: 307567
• Molecular Formular: C9H19NO
• Molecular Mass: 157.25326
• Monoisotopic Mass: 157.14666423
• SMILES: C1(CNCCC1)(CO)CCC
• Canonical SMILES: CCCC1(CO)CCCNC1
• InChI: InChI=1S/C9H19NO/c1-2-4-9(8-11)5-3-6-10-7-9/h10-11H,2-8H2,1H3
• InChIKey: KKLDBBBTGCAHEC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-propylpiperidin-3-yl)methanol
• IUPAC Traditional name: (3-propylpiperidin-3-yl)methanol
• Synonyms: (3-propylpiperidin-3-yl)methanol

Database IDs

• CAS Number: 915925-19-8
• MDL Number: MFCD08691612

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.202807
• LogD (pH = 7.4): -1.4046524
• Log P: 1.0088276
• Molar Refractivity: 46.6818 cm^3
• Polarizability: 18.725828 Å^3
• Polar Surface Area: 32.26 Å^2