4-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]morpholine

C19H25FN4O — CID 45230698

IUPAC4-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]morpholine
SMILESFc1ccc(-c2[nH]ncc2CN2CCCC(N3CCOCC3)C2)cc1
InChIInChI=1S/C19H25FN4O/c20-17-5-3-15(4-6-17)19-16(12-21-22-19)13-23-7-1-2-18(14-23)24-8-10-25-11-9-24/h3-6,12,18H,1-2,7-11,13-14H2,(H,21,22)
InChIKeyJNKQRGCGIHNQMV-UHFFFAOYSA-N
MW344.43 g/mol
LogP2.51
Rot. Bonds4

About 4-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]morpholine

4-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]morpholine (PubChem CID 45230698) has the molecular formula C19H25FN4O and a molecular weight of 344.43 g/mol. Its IUPAC name is 4-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]morpholine.

Molecular Properties

Compound Name4-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]morpholine
PubChem CID45230698
Molecular FormulaC19H25FN4O
Molecular Weight344.43 g/mol
Exact Mass344.20
IUPAC Name4-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]morpholine
SMILESFc1ccc(-c2[nH]ncc2CN2CCCC(N3CCOCC3)C2)cc1
InChIInChI=1S/C19H25FN4O/c20-17-5-3-15(4-6-17)19-16(12-21-22-19)13-23-7-1-2-18(14-23)24-8-10-25-11-9-24/h3-6,12,18H,1-2,7-11,13-14H2,(H,21,22)
InChIKeyJNKQRGCGIHNQMV-UHFFFAOYSA-N
XLogP2.51
TPSA44.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]morpholine?
The IUPAC name of 4-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]morpholine (CID 45230698) is 4-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]morpholine.
What is the SMILES notation for 4-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]morpholine?
The canonical SMILES for 4-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]morpholine is Fc1ccc(-c2[nH]ncc2CN2CCCC(N3CCOCC3)C2)cc1.
What is the InChIKey of 4-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]morpholine?
The InChIKey is JNKQRGCGIHNQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4O/c20-17-5-3-15(4-6-17)19-16(12-21-22-19)13-23-7-1-2-18(14-23)24-8-10-25-11-9-24/h3-6,12,18H,1-2,7-11,13-14H2,(H,21,22).
What are the key properties of 4-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]morpholine?
4-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]morpholine has a molecular weight of 344.43 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]morpholine is sourced from PubChem (CID 45230698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).