4-[1-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]piperidin-3-yl]morpholine

C21H29FN4O — CID 45224254

IUPAC4-[1-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]piperidin-3-yl]morpholine
SMILESCc1nn(-c2ccc(F)cc2)c(C)c1CN1CCCC(N2CCOCC2)C1
InChIInChI=1S/C21H29FN4O/c1-16-21(17(2)26(23-16)19-7-5-18(22)6-8-19)15-24-9-3-4-20(14-24)25-10-12-27-13-11-25/h5-8,20H,3-4,9-15H2,1-2H3
InChIKeyOMGDHQLGDBKRFC-UHFFFAOYSA-N
MW372.49 g/mol
LogP2.92
Rot. Bonds4

About 4-[1-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]piperidin-3-yl]morpholine

4-[1-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]piperidin-3-yl]morpholine (PubChem CID 45224254) has the molecular formula C21H29FN4O and a molecular weight of 372.49 g/mol. Its IUPAC name is 4-[1-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]piperidin-3-yl]morpholine.

Molecular Properties

Compound Name4-[1-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]piperidin-3-yl]morpholine
PubChem CID45224254
Molecular FormulaC21H29FN4O
Molecular Weight372.49 g/mol
Exact Mass372.23
IUPAC Name4-[1-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]piperidin-3-yl]morpholine
SMILESCc1nn(-c2ccc(F)cc2)c(C)c1CN1CCCC(N2CCOCC2)C1
InChIInChI=1S/C21H29FN4O/c1-16-21(17(2)26(23-16)19-7-5-18(22)6-8-19)15-24-9-3-4-20(14-24)25-10-12-27-13-11-25/h5-8,20H,3-4,9-15H2,1-2H3
InChIKeyOMGDHQLGDBKRFC-UHFFFAOYSA-N
XLogP2.92
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]piperidin-3-yl]morpholine?
The IUPAC name of 4-[1-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]piperidin-3-yl]morpholine (CID 45224254) is 4-[1-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]piperidin-3-yl]morpholine.
What is the SMILES notation for 4-[1-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]piperidin-3-yl]morpholine?
The canonical SMILES for 4-[1-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]piperidin-3-yl]morpholine is Cc1nn(-c2ccc(F)cc2)c(C)c1CN1CCCC(N2CCOCC2)C1.
What is the InChIKey of 4-[1-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]piperidin-3-yl]morpholine?
The InChIKey is OMGDHQLGDBKRFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29FN4O/c1-16-21(17(2)26(23-16)19-7-5-18(22)6-8-19)15-24-9-3-4-20(14-24)25-10-12-27-13-11-25/h5-8,20H,3-4,9-15H2,1-2H3.
What are the key properties of 4-[1-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]piperidin-3-yl]morpholine?
4-[1-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]piperidin-3-yl]morpholine has a molecular weight of 372.49 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]piperidin-3-yl]morpholine is sourced from PubChem (CID 45224254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).