3-[(2-fluorophenoxy)methyl]-1-[(2-methylpyrazol-3-yl)methyl]piperidine

C17H22FN3O — CID 46981141

IUPAC3-[(2-fluorophenoxy)methyl]-1-[(2-methylpyrazol-3-yl)methyl]piperidine
SMILESCn1nccc1CN1CCCC(COc2ccccc2F)C1
InChIInChI=1S/C17H22FN3O/c1-20-15(8-9-19-20)12-21-10-4-5-14(11-21)13-22-17-7-3-2-6-16(17)18/h2-3,6-9,14H,4-5,10-13H2,1H3
InChIKeyANAOHFQYFJIXGI-UHFFFAOYSA-N
MW303.38 g/mol
LogP2.85
Rot. Bonds5

About 3-[(2-fluorophenoxy)methyl]-1-[(2-methylpyrazol-3-yl)methyl]piperidine

3-[(2-fluorophenoxy)methyl]-1-[(2-methylpyrazol-3-yl)methyl]piperidine (PubChem CID 46981141) has the molecular formula C17H22FN3O and a molecular weight of 303.38 g/mol. Its IUPAC name is 3-[(2-fluorophenoxy)methyl]-1-[(2-methylpyrazol-3-yl)methyl]piperidine.

Molecular Properties

Compound Name3-[(2-fluorophenoxy)methyl]-1-[(2-methylpyrazol-3-yl)methyl]piperidine
PubChem CID46981141
Molecular FormulaC17H22FN3O
Molecular Weight303.38 g/mol
Exact Mass303.17
IUPAC Name3-[(2-fluorophenoxy)methyl]-1-[(2-methylpyrazol-3-yl)methyl]piperidine
SMILESCn1nccc1CN1CCCC(COc2ccccc2F)C1
InChIInChI=1S/C17H22FN3O/c1-20-15(8-9-19-20)12-21-10-4-5-14(11-21)13-22-17-7-3-2-6-16(17)18/h2-3,6-9,14H,4-5,10-13H2,1H3
InChIKeyANAOHFQYFJIXGI-UHFFFAOYSA-N
XLogP2.85
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenoxy)methyl]-1-[(2-methylpyrazol-3-yl)methyl]piperidine?
The IUPAC name of 3-[(2-fluorophenoxy)methyl]-1-[(2-methylpyrazol-3-yl)methyl]piperidine (CID 46981141) is 3-[(2-fluorophenoxy)methyl]-1-[(2-methylpyrazol-3-yl)methyl]piperidine.
What is the SMILES notation for 3-[(2-fluorophenoxy)methyl]-1-[(2-methylpyrazol-3-yl)methyl]piperidine?
The canonical SMILES for 3-[(2-fluorophenoxy)methyl]-1-[(2-methylpyrazol-3-yl)methyl]piperidine is Cn1nccc1CN1CCCC(COc2ccccc2F)C1.
What is the InChIKey of 3-[(2-fluorophenoxy)methyl]-1-[(2-methylpyrazol-3-yl)methyl]piperidine?
The InChIKey is ANAOHFQYFJIXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O/c1-20-15(8-9-19-20)12-21-10-4-5-14(11-21)13-22-17-7-3-2-6-16(17)18/h2-3,6-9,14H,4-5,10-13H2,1H3.
What are the key properties of 3-[(2-fluorophenoxy)methyl]-1-[(2-methylpyrazol-3-yl)methyl]piperidine?
3-[(2-fluorophenoxy)methyl]-1-[(2-methylpyrazol-3-yl)methyl]piperidine has a molecular weight of 303.38 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenoxy)methyl]-1-[(2-methylpyrazol-3-yl)methyl]piperidine is sourced from PubChem (CID 46981141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).