1-[(pyrrolidin-2-yl)methyl]piperidine

• ChemBase ID: 813151
• Molecular Formular: C10H20N2
• Molecular Mass: 168.2792
• Monoisotopic Mass: 168.16264865
• SMILES: C1CCN(CC1)CC1NCCC1
• Canonical SMILES: C1CCN(CC1)CC1CCCN1
• InChI: InChI=1S/C10H20N2/c1-2-7-12(8-3-1)9-10-5-4-6-11-10/h10-11H,1-9H2
• InChIKey: MYIDBVVEYLMRSS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(pyrrolidin-2-yl)methyl]piperidine
• IUPAC Traditional name: 1-(pyrrolidin-2-ylmethyl)piperidine
• Synonyms: 1-(PYRROLIDIN-2-YLMETHYL)PIPERIDINE

Database IDs

• CAS Number: 112906-37-3

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.7373886
• LogD (pH = 7.4): -1.9456189
• Log P: 1.1416967
• Molar Refractivity: 52.0657 cm^3
• Polarizability: 20.7646 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%