(3aR,7aS)-5-piperidin-4-yl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine

C12H22N2O — CID 129494852

IUPAC(3aR,7aS)-5-piperidin-4-yl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine
SMILESC1CC(N2CC[C@@H]3COC[C@H]3C2)CCN1
InChIInChI=1S/C12H22N2O/c1-4-13-5-2-12(1)14-6-3-10-8-15-9-11(10)7-14/h10-13H,1-9H2/t10-,11-/m1/s1
InChIKeyDXXJRGTUQMDICJ-GHMZBOCLSA-N
MW210.32 g/mol
LogP0.71
Rot. Bonds1

About (3aR,7aS)-5-piperidin-4-yl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine

(3aR,7aS)-5-piperidin-4-yl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine (PubChem CID 129494852) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is (3aR,7aS)-5-piperidin-4-yl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine.

Molecular Properties

Compound Name(3aR,7aS)-5-piperidin-4-yl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine
PubChem CID129494852
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name(3aR,7aS)-5-piperidin-4-yl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine
SMILESC1CC(N2CC[C@@H]3COC[C@H]3C2)CCN1
InChIInChI=1S/C12H22N2O/c1-4-13-5-2-12(1)14-6-3-10-8-15-9-11(10)7-14/h10-13H,1-9H2/t10-,11-/m1/s1
InChIKeyDXXJRGTUQMDICJ-GHMZBOCLSA-N
XLogP0.71
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3aR,7aS)-5-piperidin-4-yl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine?
The IUPAC name of (3aR,7aS)-5-piperidin-4-yl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine (CID 129494852) is (3aR,7aS)-5-piperidin-4-yl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine.
What is the SMILES notation for (3aR,7aS)-5-piperidin-4-yl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine?
The canonical SMILES for (3aR,7aS)-5-piperidin-4-yl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine is C1CC(N2CC[C@@H]3COC[C@H]3C2)CCN1.
What is the InChIKey of (3aR,7aS)-5-piperidin-4-yl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine?
The InChIKey is DXXJRGTUQMDICJ-GHMZBOCLSA-N. The full InChI is InChI=1S/C12H22N2O/c1-4-13-5-2-12(1)14-6-3-10-8-15-9-11(10)7-14/h10-13H,1-9H2/t10-,11-/m1/s1.
What are the key properties of (3aR,7aS)-5-piperidin-4-yl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine?
(3aR,7aS)-5-piperidin-4-yl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine has a molecular weight of 210.32 g/mol, XLogP of 0.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,7aS)-5-piperidin-4-yl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine is sourced from PubChem (CID 129494852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).