2-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]-6-fluorobenzonitrile

C19H24FN3O2 — CID 56812481

IUPAC2-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]-6-fluorobenzonitrile
SMILESCC1CN(C(=O)C2CCN(c3cccc(F)c3C#N)CC2)CC(C)O1
InChIInChI=1S/C19H24FN3O2/c1-13-11-23(12-14(2)25-13)19(24)15-6-8-22(9-7-15)18-5-3-4-17(20)16(18)10-21/h3-5,13-15H,6-9,11-12H2,1-2H3
InChIKeyBVYFAFLIKJTUJT-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.55
Rot. Bonds2

About 2-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]-6-fluorobenzonitrile

2-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]-6-fluorobenzonitrile (PubChem CID 56812481) has the molecular formula C19H24FN3O2 and a molecular weight of 345.42 g/mol. Its IUPAC name is 2-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]-6-fluorobenzonitrile.

Molecular Properties

Compound Name2-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]-6-fluorobenzonitrile
PubChem CID56812481
Molecular FormulaC19H24FN3O2
Molecular Weight345.42 g/mol
Exact Mass345.19
IUPAC Name2-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]-6-fluorobenzonitrile
SMILESCC1CN(C(=O)C2CCN(c3cccc(F)c3C#N)CC2)CC(C)O1
InChIInChI=1S/C19H24FN3O2/c1-13-11-23(12-14(2)25-13)19(24)15-6-8-22(9-7-15)18-5-3-4-17(20)16(18)10-21/h3-5,13-15H,6-9,11-12H2,1-2H3
InChIKeyBVYFAFLIKJTUJT-UHFFFAOYSA-N
XLogP2.55
TPSA56.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-6-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]benzonitrile
CID 56815301
4-[4-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]piperidin-1-yl]-3-fluorobenzonitrile
CID 94817550
2-fluoro-6-[3-(morpholine-4-carbonyl)piperidin-1-yl]benzonitrile
CID 47018174
2-[4-(1-acetylpiperidin-4-yl)azepan-1-yl]-6-fluorobenzonitrile
CID 154786225
2-fluoro-6-[4-[3-(5-methyloxolan-2-yl)propanoyl]piperazin-1-yl]benzonitrile
CID 122150148
2-fluoro-6-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-1-yl]benzonitrile
CID 56815421
2-[4-(dimethylamino)piperidin-1-yl]-6-fluorobenzonitrile
CID 78916048
2-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-6-fluorobenzonitrile
CID 51245848
2-[(3R)-3-aminopyrrolidin-1-yl]-6-fluorobenzonitrile
CID 94340829
2-fluoro-6-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]benzonitrile
CID 133330519
tert-butyl 4-(2-cyano-3-fluorophenyl)piperazine-1-carboxylate
CID 51111672
(2S)-2-[1-(2-cyano-3-fluorophenyl)piperidin-4-yl]azepane-1-carboxamide
CID 95336773

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]-6-fluorobenzonitrile?
The IUPAC name of 2-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]-6-fluorobenzonitrile (CID 56812481) is 2-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]-6-fluorobenzonitrile.
What is the SMILES notation for 2-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]-6-fluorobenzonitrile?
The canonical SMILES for 2-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]-6-fluorobenzonitrile is CC1CN(C(=O)C2CCN(c3cccc(F)c3C#N)CC2)CC(C)O1.
What is the InChIKey of 2-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]-6-fluorobenzonitrile?
The InChIKey is BVYFAFLIKJTUJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O2/c1-13-11-23(12-14(2)25-13)19(24)15-6-8-22(9-7-15)18-5-3-4-17(20)16(18)10-21/h3-5,13-15H,6-9,11-12H2,1-2H3.
What are the key properties of 2-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]-6-fluorobenzonitrile?
2-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]-6-fluorobenzonitrile has a molecular weight of 345.42 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]-6-fluorobenzonitrile is sourced from PubChem (CID 56812481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).