[(3R)-3-piperidin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-b]pyridin-6-yl]methanol

C13H25N3O — CID 176569123

IUPAC[(3R)-3-piperidin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-b]pyridin-6-yl]methanol
SMILESOCC1CCC2C(NC[C@@H]2C2CCCNC2)N1
InChIInChI=1S/C13H25N3O/c17-8-10-3-4-11-12(7-15-13(11)16-10)9-2-1-5-14-6-9/h9-17H,1-8H2/t9?,10?,11?,12-,13?/m1/s1
InChIKeyAUUDIHLBGQTXNB-CRIDGIJHSA-N
MW239.36 g/mol
LogP-0.11
Rot. Bonds2

About [(3R)-3-piperidin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-b]pyridin-6-yl]methanol

[(3R)-3-piperidin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-b]pyridin-6-yl]methanol (PubChem CID 176569123) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is [(3R)-3-piperidin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-b]pyridin-6-yl]methanol.

Molecular Properties

Compound Name[(3R)-3-piperidin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-b]pyridin-6-yl]methanol
PubChem CID176569123
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name[(3R)-3-piperidin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-b]pyridin-6-yl]methanol
SMILESOCC1CCC2C(NC[C@@H]2C2CCCNC2)N1
InChIInChI=1S/C13H25N3O/c17-8-10-3-4-11-12(7-15-13(11)16-10)9-2-1-5-14-6-9/h9-17H,1-8H2/t9?,10?,11?,12-,13?/m1/s1
InChIKeyAUUDIHLBGQTXNB-CRIDGIJHSA-N
XLogP-0.11
TPSA56.32 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 5-0.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(3R)-3-piperidin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-b]pyridin-6-yl]methanol?
The IUPAC name of [(3R)-3-piperidin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-b]pyridin-6-yl]methanol (CID 176569123) is [(3R)-3-piperidin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-b]pyridin-6-yl]methanol.
What is the SMILES notation for [(3R)-3-piperidin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-b]pyridin-6-yl]methanol?
The canonical SMILES for [(3R)-3-piperidin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-b]pyridin-6-yl]methanol is OCC1CCC2C(NC[C@@H]2C2CCCNC2)N1.
What is the InChIKey of [(3R)-3-piperidin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-b]pyridin-6-yl]methanol?
The InChIKey is AUUDIHLBGQTXNB-CRIDGIJHSA-N. The full InChI is InChI=1S/C13H25N3O/c17-8-10-3-4-11-12(7-15-13(11)16-10)9-2-1-5-14-6-9/h9-17H,1-8H2/t9?,10?,11?,12-,13?/m1/s1.
What are the key properties of [(3R)-3-piperidin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-b]pyridin-6-yl]methanol?
[(3R)-3-piperidin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-b]pyridin-6-yl]methanol has a molecular weight of 239.36 g/mol, XLogP of -0.11, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-piperidin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-b]pyridin-6-yl]methanol is sourced from PubChem (CID 176569123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).