3-[2-fluoro-2-methyl-4-(1-methylpyrazol-4-yl)butyl]morpholine

C13H22FN3O — CID 103023218

IUPAC3-[2-fluoro-2-methyl-4-(1-methylpyrazol-4-yl)butyl]morpholine
SMILESCn1cc(CCC(C)(F)CC2COCCN2)cn1
InChIInChI=1S/C13H22FN3O/c1-13(14,7-12-10-18-6-5-15-12)4-3-11-8-16-17(2)9-11/h8-9,12,15H,3-7,10H2,1-2H3
InChIKeyYYCBORHLSZMMFD-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.46
Rot. Bonds5

About 3-[2-fluoro-2-methyl-4-(1-methylpyrazol-4-yl)butyl]morpholine

3-[2-fluoro-2-methyl-4-(1-methylpyrazol-4-yl)butyl]morpholine (PubChem CID 103023218) has the molecular formula C13H22FN3O and a molecular weight of 255.34 g/mol. Its IUPAC name is 3-[2-fluoro-2-methyl-4-(1-methylpyrazol-4-yl)butyl]morpholine.

Molecular Properties

Compound Name3-[2-fluoro-2-methyl-4-(1-methylpyrazol-4-yl)butyl]morpholine
PubChem CID103023218
Molecular FormulaC13H22FN3O
Molecular Weight255.34 g/mol
Exact Mass255.17
IUPAC Name3-[2-fluoro-2-methyl-4-(1-methylpyrazol-4-yl)butyl]morpholine
SMILESCn1cc(CCC(C)(F)CC2COCCN2)cn1
InChIInChI=1S/C13H22FN3O/c1-13(14,7-12-10-18-6-5-15-12)4-3-11-8-16-17(2)9-11/h8-9,12,15H,3-7,10H2,1-2H3
InChIKeyYYCBORHLSZMMFD-UHFFFAOYSA-N
XLogP1.46
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-methyl-4-(1-methylpyrazol-4-yl)but-2-enyl]morpholine
CID 103019540
3-[3-(2,3-dichlorophenyl)-2-fluoro-2-methylpropyl]morpholine
CID 107311248
3-[(4-methylpyrazol-1-yl)methyl]morpholine
CID 165375298
N-[2-(1-methylpyrazol-4-yl)ethyl]oxetan-3-amine
CID 80683078
3-[2-(1,3-dimethylpyrazol-4-yl)ethyl]morpholine
CID 104704094
3-tert-butyl-7-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]-1,4-diazepane
CID 103016752
2-(1-methylpyrazol-4-yl)-N-(oxan-3-ylmethyl)ethanamine
CID 80682621
2-fluoro-2-[2-(1-methylpyrazol-4-yl)ethyl]pentan-1-amine
CID 103023204
3-[2-(3-bromo-2,6-difluorophenyl)-2-fluoropropyl]morpholine
CID 106943968
3-[(2,5-dimethylpyrrol-1-yl)methyl]morpholine
CID 103549624
2-methyl-5-(1-methylpyrazol-4-yl)pentan-2-ol
CID 164967779
[4-[2-(1-methylpyrazol-4-yl)ethyl]morpholin-3-yl]methanol
CID 104877516

Frequently Asked Questions

What is the IUPAC name of 3-[2-fluoro-2-methyl-4-(1-methylpyrazol-4-yl)butyl]morpholine?
The IUPAC name of 3-[2-fluoro-2-methyl-4-(1-methylpyrazol-4-yl)butyl]morpholine (CID 103023218) is 3-[2-fluoro-2-methyl-4-(1-methylpyrazol-4-yl)butyl]morpholine.
What is the SMILES notation for 3-[2-fluoro-2-methyl-4-(1-methylpyrazol-4-yl)butyl]morpholine?
The canonical SMILES for 3-[2-fluoro-2-methyl-4-(1-methylpyrazol-4-yl)butyl]morpholine is Cn1cc(CCC(C)(F)CC2COCCN2)cn1.
What is the InChIKey of 3-[2-fluoro-2-methyl-4-(1-methylpyrazol-4-yl)butyl]morpholine?
The InChIKey is YYCBORHLSZMMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22FN3O/c1-13(14,7-12-10-18-6-5-15-12)4-3-11-8-16-17(2)9-11/h8-9,12,15H,3-7,10H2,1-2H3.
What are the key properties of 3-[2-fluoro-2-methyl-4-(1-methylpyrazol-4-yl)butyl]morpholine?
3-[2-fluoro-2-methyl-4-(1-methylpyrazol-4-yl)butyl]morpholine has a molecular weight of 255.34 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-fluoro-2-methyl-4-(1-methylpyrazol-4-yl)butyl]morpholine is sourced from PubChem (CID 103023218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).