3-(pyrrolidin-1-yl)piperidine

• ChemBase ID: 259215
• Molecular Formular: C9H18N2
• Molecular Mass: 154.25262
• Monoisotopic Mass: 154.14699859
• SMILES: N1(C2CNCCC2)CCCC1
• Canonical SMILES: C1CCC(CN1)N1CCCC1
• InChI: InChI=1S/C9H18N2/c1-2-7-11(6-1)9-4-3-5-10-8-9/h9-10H,1-8H2
• InChIKey: DSRVXZMXCPNZDO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(pyrrolidin-1-yl)piperidine
• IUPAC Traditional name: 3-(pyrrolidin-1-yl)piperidine
• Synonyms: 3-(pyrrolidin-1-yl)piperidine; 3-(1-pyrrolidinyl)piperidine

Database IDs

• CAS Number: 144243-28-7
• MDL Number: MFCD09998985
• PubChem SID: 164315125
• PubChem CID: 573611

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.545872
• LogD (pH = 7.4): -2.2679152
• Log P: 0.69712806
• Molar Refractivity: 47.4647 cm^3
• Polarizability: 18.918522 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 0.84
• LOG S: -0.04
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 1

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.744

Product Information

• Purity: 95%