2-fluoro-6-[3-(morpholine-4-carbonyl)piperidin-1-yl]benzonitrile

C17H20FN3O2 — CID 47018174

IUPAC2-fluoro-6-[3-(morpholine-4-carbonyl)piperidin-1-yl]benzonitrile
SMILESN#Cc1c(F)cccc1N1CCCC(C(=O)N2CCOCC2)C1
InChIInChI=1S/C17H20FN3O2/c18-15-4-1-5-16(14(15)11-19)21-6-2-3-13(12-21)17(22)20-7-9-23-10-8-20/h1,4-5,13H,2-3,6-10,12H2
InChIKeyXWNIZSDOCYAEPX-UHFFFAOYSA-N
MW317.36 g/mol
LogP1.77
Rot. Bonds2

About 2-fluoro-6-[3-(morpholine-4-carbonyl)piperidin-1-yl]benzonitrile

2-fluoro-6-[3-(morpholine-4-carbonyl)piperidin-1-yl]benzonitrile (PubChem CID 47018174) has the molecular formula C17H20FN3O2 and a molecular weight of 317.36 g/mol. Its IUPAC name is 2-fluoro-6-[3-(morpholine-4-carbonyl)piperidin-1-yl]benzonitrile.

Molecular Properties

Compound Name2-fluoro-6-[3-(morpholine-4-carbonyl)piperidin-1-yl]benzonitrile
PubChem CID47018174
Molecular FormulaC17H20FN3O2
Molecular Weight317.36 g/mol
Exact Mass317.15
IUPAC Name2-fluoro-6-[3-(morpholine-4-carbonyl)piperidin-1-yl]benzonitrile
SMILESN#Cc1c(F)cccc1N1CCCC(C(=O)N2CCOCC2)C1
InChIInChI=1S/C17H20FN3O2/c18-15-4-1-5-16(14(15)11-19)21-6-2-3-13(12-21)17(22)20-7-9-23-10-8-20/h1,4-5,13H,2-3,6-10,12H2
InChIKeyXWNIZSDOCYAEPX-UHFFFAOYSA-N
XLogP1.77
TPSA56.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-6-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]benzonitrile
CID 96534911
3-[3-(morpholine-4-carbonyl)piperidin-1-yl]pyridine-2-carbonitrile
CID 155974260
2-fluoro-6-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]benzonitrile
CID 56815301
2-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]-6-fluorobenzonitrile
CID 56812481
2-[4-(1-acetylpiperidin-4-yl)azepan-1-yl]-6-fluorobenzonitrile
CID 154786225
2-fluoro-6-[3-(1-hydroxyethyl)piperidin-1-yl]benzonitrile
CID 133397854
2-[(3R)-3-aminopyrrolidin-1-yl]-6-fluorobenzonitrile
CID 94340829
2-fluoro-6-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-1-yl]benzonitrile
CID 56815421
morpholin-4-yl-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanone
CID 155975820
2-(3-acetylpiperidin-1-yl)-6-bromobenzonitrile
CID 114883001
N-[5-[(3S)-1-(2-cyano-3-fluorophenyl)piperidin-3-yl]-1H-pyrazol-4-yl]acetamide
CID 97343926
[1-(4-chloro-2-nitrophenyl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 134051230

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[3-(morpholine-4-carbonyl)piperidin-1-yl]benzonitrile?
The IUPAC name of 2-fluoro-6-[3-(morpholine-4-carbonyl)piperidin-1-yl]benzonitrile (CID 47018174) is 2-fluoro-6-[3-(morpholine-4-carbonyl)piperidin-1-yl]benzonitrile.
What is the SMILES notation for 2-fluoro-6-[3-(morpholine-4-carbonyl)piperidin-1-yl]benzonitrile?
The canonical SMILES for 2-fluoro-6-[3-(morpholine-4-carbonyl)piperidin-1-yl]benzonitrile is N#Cc1c(F)cccc1N1CCCC(C(=O)N2CCOCC2)C1.
What is the InChIKey of 2-fluoro-6-[3-(morpholine-4-carbonyl)piperidin-1-yl]benzonitrile?
The InChIKey is XWNIZSDOCYAEPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O2/c18-15-4-1-5-16(14(15)11-19)21-6-2-3-13(12-21)17(22)20-7-9-23-10-8-20/h1,4-5,13H,2-3,6-10,12H2.
What are the key properties of 2-fluoro-6-[3-(morpholine-4-carbonyl)piperidin-1-yl]benzonitrile?
2-fluoro-6-[3-(morpholine-4-carbonyl)piperidin-1-yl]benzonitrile has a molecular weight of 317.36 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[3-(morpholine-4-carbonyl)piperidin-1-yl]benzonitrile is sourced from PubChem (CID 47018174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).