4-(pyrrolidin-1-ylmethyl)piperidin-4-ol

• ChemBase ID: 308413
• Molecular Formular: C10H20N2O
• Molecular Mass: 184.2786
• Monoisotopic Mass: 184.15756327
• SMILES: N1(CC2(CCNCC2)O)CCCC1
• Canonical SMILES: OC1(CCNCC1)CN1CCCC1
• InChI: InChI=1S/C10H20N2O/c13-10(3-5-11-6-4-10)9-12-7-1-2-8-12/h11,13H,1-9H2
• InChIKey: KVPDUDGJCYNUMH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(pyrrolidin-1-ylmethyl)piperidin-4-ol
• IUPAC Traditional name: 4-(pyrrolidin-1-ylmethyl)piperidin-4-ol
• Synonyms: 4-(1-pyrrolidinylmethyl)-4-piperidinol

Database IDs

• CAS Number: 942031-83-6
• MDL Number: MFCD06808779

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -7.193235
• LogD (pH = 7.4): -5.457724
• Log P: -0.52660817
• Molar Refractivity: 53.8674 cm^3
• Polarizability: 21.362965 Å^3
• Polar Surface Area: 35.5 Å^2