1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-[(4-fluorophenyl)methoxy]piperidine

C20H28FN3O — CID 75518409

IUPAC1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-[(4-fluorophenyl)methoxy]piperidine
SMILESCCn1nc(C)c(CN2CCC(OCc3ccc(F)cc3)CC2)c1C
InChIInChI=1S/C20H28FN3O/c1-4-24-16(3)20(15(2)22-24)13-23-11-9-19(10-12-23)25-14-17-5-7-18(21)8-6-17/h5-8,19H,4,9-14H2,1-3H3
InChIKeyWAENAPPHPRRXPS-UHFFFAOYSA-N
MW345.46 g/mol
LogP3.84
Rot. Bonds6

About 1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-[(4-fluorophenyl)methoxy]piperidine

1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-[(4-fluorophenyl)methoxy]piperidine (PubChem CID 75518409) has the molecular formula C20H28FN3O and a molecular weight of 345.46 g/mol. Its IUPAC name is 1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-[(4-fluorophenyl)methoxy]piperidine.

Molecular Properties

Compound Name1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-[(4-fluorophenyl)methoxy]piperidine
PubChem CID75518409
Molecular FormulaC20H28FN3O
Molecular Weight345.46 g/mol
Exact Mass345.22
IUPAC Name1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-[(4-fluorophenyl)methoxy]piperidine
SMILESCCn1nc(C)c(CN2CCC(OCc3ccc(F)cc3)CC2)c1C
InChIInChI=1S/C20H28FN3O/c1-4-24-16(3)20(15(2)22-24)13-23-11-9-19(10-12-23)25-14-17-5-7-18(21)8-6-17/h5-8,19H,4,9-14H2,1-3H3
InChIKeyWAENAPPHPRRXPS-UHFFFAOYSA-N
XLogP3.84
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-[(4-fluorophenyl)methoxy]piperidine?
The IUPAC name of 1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-[(4-fluorophenyl)methoxy]piperidine (CID 75518409) is 1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-[(4-fluorophenyl)methoxy]piperidine.
What is the SMILES notation for 1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-[(4-fluorophenyl)methoxy]piperidine?
The canonical SMILES for 1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-[(4-fluorophenyl)methoxy]piperidine is CCn1nc(C)c(CN2CCC(OCc3ccc(F)cc3)CC2)c1C.
What is the InChIKey of 1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-[(4-fluorophenyl)methoxy]piperidine?
The InChIKey is WAENAPPHPRRXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28FN3O/c1-4-24-16(3)20(15(2)22-24)13-23-11-9-19(10-12-23)25-14-17-5-7-18(21)8-6-17/h5-8,19H,4,9-14H2,1-3H3.
What are the key properties of 1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-[(4-fluorophenyl)methoxy]piperidine?
1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-[(4-fluorophenyl)methoxy]piperidine has a molecular weight of 345.46 g/mol, XLogP of 3.84, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-[(4-fluorophenyl)methoxy]piperidine is sourced from PubChem (CID 75518409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).