2-[3-fluoro-4-(piperidin-1-ylmethyl)phenyl]morpholine

C16H23FN2O — CID 117446560

IUPAC2-[3-fluoro-4-(piperidin-1-ylmethyl)phenyl]morpholine
SMILESFc1cc(C2CNCCO2)ccc1CN1CCCCC1
InChIInChI=1S/C16H23FN2O/c17-15-10-13(16-11-18-6-9-20-16)4-5-14(15)12-19-7-2-1-3-8-19/h4-5,10,16,18H,1-3,6-9,11-12H2
InChIKeyFPVJXABGUAMYRF-UHFFFAOYSA-N
MW278.37 g/mol
LogP2.47
Rot. Bonds3

About 2-[3-fluoro-4-(piperidin-1-ylmethyl)phenyl]morpholine

2-[3-fluoro-4-(piperidin-1-ylmethyl)phenyl]morpholine (PubChem CID 117446560) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is 2-[3-fluoro-4-(piperidin-1-ylmethyl)phenyl]morpholine.

Molecular Properties

Compound Name2-[3-fluoro-4-(piperidin-1-ylmethyl)phenyl]morpholine
PubChem CID117446560
Molecular FormulaC16H23FN2O
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC Name2-[3-fluoro-4-(piperidin-1-ylmethyl)phenyl]morpholine
SMILESFc1cc(C2CNCCO2)ccc1CN1CCCCC1
InChIInChI=1S/C16H23FN2O/c17-15-10-13(16-11-18-6-9-20-16)4-5-14(15)12-19-7-2-1-3-8-19/h4-5,10,16,18H,1-3,6-9,11-12H2
InChIKeyFPVJXABGUAMYRF-UHFFFAOYSA-N
XLogP2.47
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(piperidin-1-ylmethyl)phenyl]morpholine
CID 117405596
2-[3-methyl-4-(piperazin-1-ylmethyl)phenyl]morpholine
CID 174742097
4-[(2-fluoro-4-piperidin-3-ylphenyl)methyl]morpholine
CID 117446553
1-[(2-fluoro-4-pyrrolidin-2-ylphenyl)methyl]piperidine
CID 117411013
2-(3-fluoro-4-methylphenyl)morpholine
CID 65122034
2-[4-(2-pyrrolidin-1-ylethyl)phenyl]morpholine
CID 117405594
3-fluoro-5-[3-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-2-oxopropyl]benzonitrile
CID 161212668
2-[4-[(5-ethoxypyrimidin-2-yl)methyl]-3-fluorophenyl]morpholine
CID 157218899
2,6-difluoro-4-morpholin-2-ylbenzoic acid
CID 117359158
4-(azepan-1-ylmethyl)-3-fluorobenzonitrile
CID 24711476
2-(3-chloro-4-fluorophenyl)-1,4-oxazepane
CID 43498384
2-(3,4-dimethylphenyl)morpholine
CID 43169342

Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-4-(piperidin-1-ylmethyl)phenyl]morpholine?
The IUPAC name of 2-[3-fluoro-4-(piperidin-1-ylmethyl)phenyl]morpholine (CID 117446560) is 2-[3-fluoro-4-(piperidin-1-ylmethyl)phenyl]morpholine.
What is the SMILES notation for 2-[3-fluoro-4-(piperidin-1-ylmethyl)phenyl]morpholine?
The canonical SMILES for 2-[3-fluoro-4-(piperidin-1-ylmethyl)phenyl]morpholine is Fc1cc(C2CNCCO2)ccc1CN1CCCCC1.
What is the InChIKey of 2-[3-fluoro-4-(piperidin-1-ylmethyl)phenyl]morpholine?
The InChIKey is FPVJXABGUAMYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O/c17-15-10-13(16-11-18-6-9-20-16)4-5-14(15)12-19-7-2-1-3-8-19/h4-5,10,16,18H,1-3,6-9,11-12H2.
What are the key properties of 2-[3-fluoro-4-(piperidin-1-ylmethyl)phenyl]morpholine?
2-[3-fluoro-4-(piperidin-1-ylmethyl)phenyl]morpholine has a molecular weight of 278.37 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-4-(piperidin-1-ylmethyl)phenyl]morpholine is sourced from PubChem (CID 117446560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).