2-[[4-[(1S)-1-morpholin-4-ylethyl]piperidin-1-yl]methyl]pyridine-4-carbonitrile

C18H26N4O — CID 125163600

IUPAC2-[[4-[(1S)-1-morpholin-4-ylethyl]piperidin-1-yl]methyl]pyridine-4-carbonitrile
SMILESC[C@@H](C1CCN(Cc2cc(C#N)ccn2)CC1)N1CCOCC1
InChIInChI=1S/C18H26N4O/c1-15(22-8-10-23-11-9-22)17-3-6-21(7-4-17)14-18-12-16(13-19)2-5-20-18/h2,5,12,15,17H,3-4,6-11,14H2,1H3/t15-/m0/s1
InChIKeyWVOOHOGPHYREGG-HNNXBMFYSA-N
MW314.43 g/mol
LogP1.89
Rot. Bonds4

About 2-[[4-[(1S)-1-morpholin-4-ylethyl]piperidin-1-yl]methyl]pyridine-4-carbonitrile

2-[[4-[(1S)-1-morpholin-4-ylethyl]piperidin-1-yl]methyl]pyridine-4-carbonitrile (PubChem CID 125163600) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is 2-[[4-[(1S)-1-morpholin-4-ylethyl]piperidin-1-yl]methyl]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[[4-[(1S)-1-morpholin-4-ylethyl]piperidin-1-yl]methyl]pyridine-4-carbonitrile
PubChem CID125163600
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name2-[[4-[(1S)-1-morpholin-4-ylethyl]piperidin-1-yl]methyl]pyridine-4-carbonitrile
SMILESC[C@@H](C1CCN(Cc2cc(C#N)ccn2)CC1)N1CCOCC1
InChIInChI=1S/C18H26N4O/c1-15(22-8-10-23-11-9-22)17-3-6-21(7-4-17)14-18-12-16(13-19)2-5-20-18/h2,5,12,15,17H,3-4,6-11,14H2,1H3/t15-/m0/s1
InChIKeyWVOOHOGPHYREGG-HNNXBMFYSA-N
XLogP1.89
TPSA52.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(1S)-1-morpholin-4-ylethyl]piperidin-1-yl]methyl]pyridine-4-carbonitrile?
The IUPAC name of 2-[[4-[(1S)-1-morpholin-4-ylethyl]piperidin-1-yl]methyl]pyridine-4-carbonitrile (CID 125163600) is 2-[[4-[(1S)-1-morpholin-4-ylethyl]piperidin-1-yl]methyl]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[[4-[(1S)-1-morpholin-4-ylethyl]piperidin-1-yl]methyl]pyridine-4-carbonitrile?
The canonical SMILES for 2-[[4-[(1S)-1-morpholin-4-ylethyl]piperidin-1-yl]methyl]pyridine-4-carbonitrile is C[C@@H](C1CCN(Cc2cc(C#N)ccn2)CC1)N1CCOCC1.
What is the InChIKey of 2-[[4-[(1S)-1-morpholin-4-ylethyl]piperidin-1-yl]methyl]pyridine-4-carbonitrile?
The InChIKey is WVOOHOGPHYREGG-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H26N4O/c1-15(22-8-10-23-11-9-22)17-3-6-21(7-4-17)14-18-12-16(13-19)2-5-20-18/h2,5,12,15,17H,3-4,6-11,14H2,1H3/t15-/m0/s1.
What are the key properties of 2-[[4-[(1S)-1-morpholin-4-ylethyl]piperidin-1-yl]methyl]pyridine-4-carbonitrile?
2-[[4-[(1S)-1-morpholin-4-ylethyl]piperidin-1-yl]methyl]pyridine-4-carbonitrile has a molecular weight of 314.43 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(1S)-1-morpholin-4-ylethyl]piperidin-1-yl]methyl]pyridine-4-carbonitrile is sourced from PubChem (CID 125163600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).