1-(2,6-dimethylmorpholin-4-yl)-2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]propan-1-one

C21H31FN2O2 — CID 60502228

IUPAC1-(2,6-dimethylmorpholin-4-yl)-2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]propan-1-one
SMILESCC1CN(C(=O)C(C)N2CCC(Cc3cccc(F)c3)CC2)CC(C)O1
InChIInChI=1S/C21H31FN2O2/c1-15-13-24(14-16(2)26-15)21(25)17(3)23-9-7-18(8-10-23)11-19-5-4-6-20(22)12-19/h4-6,12,15-18H,7-11,13-14H2,1-3H3
InChIKeyBENBKUSHZIMZDD-UHFFFAOYSA-N
MW362.49 g/mol
LogP3.10
Rot. Bonds4

About 1-(2,6-dimethylmorpholin-4-yl)-2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]propan-1-one

1-(2,6-dimethylmorpholin-4-yl)-2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]propan-1-one (PubChem CID 60502228) has the molecular formula C21H31FN2O2 and a molecular weight of 362.49 g/mol. Its IUPAC name is 1-(2,6-dimethylmorpholin-4-yl)-2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-(2,6-dimethylmorpholin-4-yl)-2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]propan-1-one
PubChem CID60502228
Molecular FormulaC21H31FN2O2
Molecular Weight362.49 g/mol
Exact Mass362.24
IUPAC Name1-(2,6-dimethylmorpholin-4-yl)-2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]propan-1-one
SMILESCC1CN(C(=O)C(C)N2CCC(Cc3cccc(F)c3)CC2)CC(C)O1
InChIInChI=1S/C21H31FN2O2/c1-15-13-24(14-16(2)26-15)21(25)17(3)23-9-7-18(8-10-23)11-19-5-4-6-20(22)12-19/h4-6,12,15-18H,7-11,13-14H2,1-3H3
InChIKeyBENBKUSHZIMZDD-UHFFFAOYSA-N
XLogP3.10
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.49
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)-2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]propan-1-one?
The IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)-2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]propan-1-one (CID 60502228) is 1-(2,6-dimethylmorpholin-4-yl)-2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-(2,6-dimethylmorpholin-4-yl)-2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-(2,6-dimethylmorpholin-4-yl)-2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]propan-1-one is CC1CN(C(=O)C(C)N2CCC(Cc3cccc(F)c3)CC2)CC(C)O1.
What is the InChIKey of 1-(2,6-dimethylmorpholin-4-yl)-2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]propan-1-one?
The InChIKey is BENBKUSHZIMZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31FN2O2/c1-15-13-24(14-16(2)26-15)21(25)17(3)23-9-7-18(8-10-23)11-19-5-4-6-20(22)12-19/h4-6,12,15-18H,7-11,13-14H2,1-3H3.
What are the key properties of 1-(2,6-dimethylmorpholin-4-yl)-2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]propan-1-one?
1-(2,6-dimethylmorpholin-4-yl)-2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]propan-1-one has a molecular weight of 362.49 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylmorpholin-4-yl)-2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 60502228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).