5-[4-[(2R)-2-methylmorpholin-4-yl]piperidin-1-yl]pyridine-2-carbonitrile

C16H22N4O — CID 97119042

IUPAC5-[4-[(2R)-2-methylmorpholin-4-yl]piperidin-1-yl]pyridine-2-carbonitrile
SMILESC[C@@H]1CN(C2CCN(c3ccc(C#N)nc3)CC2)CCO1
InChIInChI=1S/C16H22N4O/c1-13-12-20(8-9-21-13)15-4-6-19(7-5-15)16-3-2-14(10-17)18-11-16/h2-3,11,13,15H,4-9,12H2,1H3/t13-/m1/s1
InChIKeyOJWCJXJQORDVBO-CYBMUJFWSA-N
MW286.38 g/mol
LogP1.64
Rot. Bonds2

About 5-[4-[(2R)-2-methylmorpholin-4-yl]piperidin-1-yl]pyridine-2-carbonitrile

5-[4-[(2R)-2-methylmorpholin-4-yl]piperidin-1-yl]pyridine-2-carbonitrile (PubChem CID 97119042) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 5-[4-[(2R)-2-methylmorpholin-4-yl]piperidin-1-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[4-[(2R)-2-methylmorpholin-4-yl]piperidin-1-yl]pyridine-2-carbonitrile
PubChem CID97119042
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name5-[4-[(2R)-2-methylmorpholin-4-yl]piperidin-1-yl]pyridine-2-carbonitrile
SMILESC[C@@H]1CN(C2CCN(c3ccc(C#N)nc3)CC2)CCO1
InChIInChI=1S/C16H22N4O/c1-13-12-20(8-9-21-13)15-4-6-19(7-5-15)16-3-2-14(10-17)18-11-16/h2-3,11,13,15H,4-9,12H2,1H3/t13-/m1/s1
InChIKeyOJWCJXJQORDVBO-CYBMUJFWSA-N
XLogP1.64
TPSA52.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[(2R)-2-methylmorpholin-4-yl]piperidin-1-yl]pyridine-2-carbonitrile?
The IUPAC name of 5-[4-[(2R)-2-methylmorpholin-4-yl]piperidin-1-yl]pyridine-2-carbonitrile (CID 97119042) is 5-[4-[(2R)-2-methylmorpholin-4-yl]piperidin-1-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[4-[(2R)-2-methylmorpholin-4-yl]piperidin-1-yl]pyridine-2-carbonitrile?
The canonical SMILES for 5-[4-[(2R)-2-methylmorpholin-4-yl]piperidin-1-yl]pyridine-2-carbonitrile is C[C@@H]1CN(C2CCN(c3ccc(C#N)nc3)CC2)CCO1.
What is the InChIKey of 5-[4-[(2R)-2-methylmorpholin-4-yl]piperidin-1-yl]pyridine-2-carbonitrile?
The InChIKey is OJWCJXJQORDVBO-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H22N4O/c1-13-12-20(8-9-21-13)15-4-6-19(7-5-15)16-3-2-14(10-17)18-11-16/h2-3,11,13,15H,4-9,12H2,1H3/t13-/m1/s1.
What are the key properties of 5-[4-[(2R)-2-methylmorpholin-4-yl]piperidin-1-yl]pyridine-2-carbonitrile?
5-[4-[(2R)-2-methylmorpholin-4-yl]piperidin-1-yl]pyridine-2-carbonitrile has a molecular weight of 286.38 g/mol, XLogP of 1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(2R)-2-methylmorpholin-4-yl]piperidin-1-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 97119042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).