6-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]pyridine-3-carbonitrile

C16H22N4O — CID 95624717

IUPAC6-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CCC[C@H](CN3CCOCC3)C2)nc1
InChIInChI=1S/C16H22N4O/c17-10-14-3-4-16(18-11-14)20-5-1-2-15(13-20)12-19-6-8-21-9-7-19/h3-4,11,15H,1-2,5-9,12-13H2/t15-/m1/s1
InChIKeyRTBKUXZDGXUCCN-OAHLLOKOSA-N
MW286.38 g/mol
LogP1.50
Rot. Bonds3

About 6-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]pyridine-3-carbonitrile

6-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]pyridine-3-carbonitrile (PubChem CID 95624717) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 6-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]pyridine-3-carbonitrile
PubChem CID95624717
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name6-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CCC[C@H](CN3CCOCC3)C2)nc1
InChIInChI=1S/C16H22N4O/c17-10-14-3-4-16(18-11-14)20-5-1-2-15(13-20)12-19-6-8-21-9-7-19/h3-4,11,15H,1-2,5-9,12-13H2/t15-/m1/s1
InChIKeyRTBKUXZDGXUCCN-OAHLLOKOSA-N
XLogP1.50
TPSA52.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]pyridine-3-carbonitrile (CID 95624717) is 6-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]pyridine-3-carbonitrile is N#Cc1ccc(N2CCC[C@H](CN3CCOCC3)C2)nc1.
What is the InChIKey of 6-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]pyridine-3-carbonitrile?
The InChIKey is RTBKUXZDGXUCCN-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H22N4O/c17-10-14-3-4-16(18-11-14)20-5-1-2-15(13-20)12-19-6-8-21-9-7-19/h3-4,11,15H,1-2,5-9,12-13H2/t15-/m1/s1.
What are the key properties of 6-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]pyridine-3-carbonitrile?
6-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]pyridine-3-carbonitrile has a molecular weight of 286.38 g/mol, XLogP of 1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 95624717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).