6-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpiperidin-1-yl]pyridine-2-carbonitrile

C15H20N4O2 — CID 56861281

IUPAC6-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpiperidin-1-yl]pyridine-2-carbonitrile
SMILESN#Cc1cccc(N2CC[C@@H](N3CCOCC3)[C@H](O)C2)n1
InChIInChI=1S/C15H20N4O2/c16-10-12-2-1-3-15(17-12)19-5-4-13(14(20)11-19)18-6-8-21-9-7-18/h1-3,13-14,20H,4-9,11H2/t13-,14-/m1/s1
InChIKeyIIHMCZSCHWBFKG-ZIAGYGMSSA-N
MW288.35 g/mol
LogP0.23
Rot. Bonds2

About 6-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpiperidin-1-yl]pyridine-2-carbonitrile

6-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpiperidin-1-yl]pyridine-2-carbonitrile (PubChem CID 56861281) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 6-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpiperidin-1-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpiperidin-1-yl]pyridine-2-carbonitrile
PubChem CID56861281
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name6-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpiperidin-1-yl]pyridine-2-carbonitrile
SMILESN#Cc1cccc(N2CC[C@@H](N3CCOCC3)[C@H](O)C2)n1
InChIInChI=1S/C15H20N4O2/c16-10-12-2-1-3-15(17-12)19-5-4-13(14(20)11-19)18-6-8-21-9-7-18/h1-3,13-14,20H,4-9,11H2/t13-,14-/m1/s1
InChIKeyIIHMCZSCHWBFKG-ZIAGYGMSSA-N
XLogP0.23
TPSA72.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpiperidin-1-yl]pyridine-2-carbonitrile?
The IUPAC name of 6-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpiperidin-1-yl]pyridine-2-carbonitrile (CID 56861281) is 6-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpiperidin-1-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpiperidin-1-yl]pyridine-2-carbonitrile?
The canonical SMILES for 6-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpiperidin-1-yl]pyridine-2-carbonitrile is N#Cc1cccc(N2CC[C@@H](N3CCOCC3)[C@H](O)C2)n1.
What is the InChIKey of 6-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpiperidin-1-yl]pyridine-2-carbonitrile?
The InChIKey is IIHMCZSCHWBFKG-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H20N4O2/c16-10-12-2-1-3-15(17-12)19-5-4-13(14(20)11-19)18-6-8-21-9-7-18/h1-3,13-14,20H,4-9,11H2/t13-,14-/m1/s1.
What are the key properties of 6-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpiperidin-1-yl]pyridine-2-carbonitrile?
6-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpiperidin-1-yl]pyridine-2-carbonitrile has a molecular weight of 288.35 g/mol, XLogP of 0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpiperidin-1-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 56861281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).