(3S,5R)-1-(2,3-dihydrofuro[2,3-b]pyridin-4-yl)-5-methylpiperidin-3-amine

C13H19N3O — CID 175954691

IUPAC(3S,5R)-1-(2,3-dihydrofuro[2,3-b]pyridin-4-yl)-5-methylpiperidin-3-amine
SMILESC[C@@H]1C[C@H](N)CN(c2ccnc3c2CCO3)C1
InChIInChI=1S/C13H19N3O/c1-9-6-10(14)8-16(7-9)12-2-4-15-13-11(12)3-5-17-13/h2,4,9-10H,3,5-8,14H2,1H3/t9-,10+/m1/s1
InChIKeyDCNWJHWSIISQRL-ZJUUUORDSA-N
MW233.31 g/mol
LogP1.19
Rot. Bonds1

About (3S,5R)-1-(2,3-dihydrofuro[2,3-b]pyridin-4-yl)-5-methylpiperidin-3-amine

(3S,5R)-1-(2,3-dihydrofuro[2,3-b]pyridin-4-yl)-5-methylpiperidin-3-amine (PubChem CID 175954691) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is (3S,5R)-1-(2,3-dihydrofuro[2,3-b]pyridin-4-yl)-5-methylpiperidin-3-amine.

Molecular Properties

Compound Name(3S,5R)-1-(2,3-dihydrofuro[2,3-b]pyridin-4-yl)-5-methylpiperidin-3-amine
PubChem CID175954691
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name(3S,5R)-1-(2,3-dihydrofuro[2,3-b]pyridin-4-yl)-5-methylpiperidin-3-amine
SMILESC[C@@H]1C[C@H](N)CN(c2ccnc3c2CCO3)C1
InChIInChI=1S/C13H19N3O/c1-9-6-10(14)8-16(7-9)12-2-4-15-13-11(12)3-5-17-13/h2,4,9-10H,3,5-8,14H2,1H3/t9-,10+/m1/s1
InChIKeyDCNWJHWSIISQRL-ZJUUUORDSA-N
XLogP1.19
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S,5R)-1-(2,3-dihydrofuro[2,3-b]pyridin-4-yl)-5-methylpiperidin-3-amine?
The IUPAC name of (3S,5R)-1-(2,3-dihydrofuro[2,3-b]pyridin-4-yl)-5-methylpiperidin-3-amine (CID 175954691) is (3S,5R)-1-(2,3-dihydrofuro[2,3-b]pyridin-4-yl)-5-methylpiperidin-3-amine.
What is the SMILES notation for (3S,5R)-1-(2,3-dihydrofuro[2,3-b]pyridin-4-yl)-5-methylpiperidin-3-amine?
The canonical SMILES for (3S,5R)-1-(2,3-dihydrofuro[2,3-b]pyridin-4-yl)-5-methylpiperidin-3-amine is C[C@@H]1C[C@H](N)CN(c2ccnc3c2CCO3)C1.
What is the InChIKey of (3S,5R)-1-(2,3-dihydrofuro[2,3-b]pyridin-4-yl)-5-methylpiperidin-3-amine?
The InChIKey is DCNWJHWSIISQRL-ZJUUUORDSA-N. The full InChI is InChI=1S/C13H19N3O/c1-9-6-10(14)8-16(7-9)12-2-4-15-13-11(12)3-5-17-13/h2,4,9-10H,3,5-8,14H2,1H3/t9-,10+/m1/s1.
What are the key properties of (3S,5R)-1-(2,3-dihydrofuro[2,3-b]pyridin-4-yl)-5-methylpiperidin-3-amine?
(3S,5R)-1-(2,3-dihydrofuro[2,3-b]pyridin-4-yl)-5-methylpiperidin-3-amine has a molecular weight of 233.31 g/mol, XLogP of 1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-1-(2,3-dihydrofuro[2,3-b]pyridin-4-yl)-5-methylpiperidin-3-amine is sourced from PubChem (CID 175954691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).