1-(1-methylpiperidin-4-yl)pyrrolidin-3-amine

• ChemBase ID: 273766
• Molecular Formular: C10H21N3
• Molecular Mass: 183.29384
• Monoisotopic Mass: 183.17354769
• SMILES: N1(C2CCN(CC2)C)CC(CC1)N
• Canonical SMILES: CN1CCC(CC1)N1CCC(C1)N
• InChI: InChI=1S/C10H21N3/c1-12-5-3-10(4-6-12)13-7-2-9(11)8-13/h9-10H,2-8,11H2,1H3
• InChIKey: CHCNNUCLNXTYFC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(1-methylpiperidin-4-yl)pyrrolidin-3-amine
• IUPAC Traditional name: 1-(1-methylpiperidin-4-yl)pyrrolidin-3-amine
• Synonyms: 1-(1-methylpiperidin-4-yl)pyrrolidin-3-amine

Database IDs

• MDL Number: MFCD12167337
• PubChem SID: 164329676
• PubChem CID: 43373544

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -7.147072
• LogD (pH = 7.4): -4.460726
• Log P: -0.6318064
• Molar Refractivity: 55.9556 cm^3
• Polarizability: 22.286194 Å^3
• Polar Surface Area: 32.5 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.337

Product Information

• Purity: 95%