1-[(1-ethylpyrazol-4-yl)methyl]-3-[(4-fluorophenoxy)methyl]piperidine

C18H24FN3O — CID 56882531

IUPAC1-[(1-ethylpyrazol-4-yl)methyl]-3-[(4-fluorophenoxy)methyl]piperidine
SMILESCCn1cc(CN2CCCC(COc3ccc(F)cc3)C2)cn1
InChIInChI=1S/C18H24FN3O/c1-2-22-13-16(10-20-22)12-21-9-3-4-15(11-21)14-23-18-7-5-17(19)6-8-18/h5-8,10,13,15H,2-4,9,11-12,14H2,1H3
InChIKeyVKPCUEJYZKBPBQ-UHFFFAOYSA-N
MW317.41 g/mol
LogP3.33
Rot. Bonds6

About 1-[(1-ethylpyrazol-4-yl)methyl]-3-[(4-fluorophenoxy)methyl]piperidine

1-[(1-ethylpyrazol-4-yl)methyl]-3-[(4-fluorophenoxy)methyl]piperidine (PubChem CID 56882531) has the molecular formula C18H24FN3O and a molecular weight of 317.41 g/mol. Its IUPAC name is 1-[(1-ethylpyrazol-4-yl)methyl]-3-[(4-fluorophenoxy)methyl]piperidine.

Molecular Properties

Compound Name1-[(1-ethylpyrazol-4-yl)methyl]-3-[(4-fluorophenoxy)methyl]piperidine
PubChem CID56882531
Molecular FormulaC18H24FN3O
Molecular Weight317.41 g/mol
Exact Mass317.19
IUPAC Name1-[(1-ethylpyrazol-4-yl)methyl]-3-[(4-fluorophenoxy)methyl]piperidine
SMILESCCn1cc(CN2CCCC(COc3ccc(F)cc3)C2)cn1
InChIInChI=1S/C18H24FN3O/c1-2-22-13-16(10-20-22)12-21-9-3-4-15(11-21)14-23-18-7-5-17(19)6-8-18/h5-8,10,13,15H,2-4,9,11-12,14H2,1H3
InChIKeyVKPCUEJYZKBPBQ-UHFFFAOYSA-N
XLogP3.33
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylpyrazol-4-yl)methyl]-3-[(4-fluorophenoxy)methyl]piperidine?
The IUPAC name of 1-[(1-ethylpyrazol-4-yl)methyl]-3-[(4-fluorophenoxy)methyl]piperidine (CID 56882531) is 1-[(1-ethylpyrazol-4-yl)methyl]-3-[(4-fluorophenoxy)methyl]piperidine.
What is the SMILES notation for 1-[(1-ethylpyrazol-4-yl)methyl]-3-[(4-fluorophenoxy)methyl]piperidine?
The canonical SMILES for 1-[(1-ethylpyrazol-4-yl)methyl]-3-[(4-fluorophenoxy)methyl]piperidine is CCn1cc(CN2CCCC(COc3ccc(F)cc3)C2)cn1.
What is the InChIKey of 1-[(1-ethylpyrazol-4-yl)methyl]-3-[(4-fluorophenoxy)methyl]piperidine?
The InChIKey is VKPCUEJYZKBPBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3O/c1-2-22-13-16(10-20-22)12-21-9-3-4-15(11-21)14-23-18-7-5-17(19)6-8-18/h5-8,10,13,15H,2-4,9,11-12,14H2,1H3.
What are the key properties of 1-[(1-ethylpyrazol-4-yl)methyl]-3-[(4-fluorophenoxy)methyl]piperidine?
1-[(1-ethylpyrazol-4-yl)methyl]-3-[(4-fluorophenoxy)methyl]piperidine has a molecular weight of 317.41 g/mol, XLogP of 3.33, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylpyrazol-4-yl)methyl]-3-[(4-fluorophenoxy)methyl]piperidine is sourced from PubChem (CID 56882531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).