1-[2-[4-(3-fluorophenyl)-3-phenylmethoxypyrazol-1-yl]ethyl]piperidine

C23H26FN3O — CID 67013428

IUPAC1-[2-[4-(3-fluorophenyl)-3-phenylmethoxypyrazol-1-yl]ethyl]piperidine
SMILESFc1cccc(-c2cn(CCN3CCCCC3)nc2OCc2ccccc2)c1
InChIInChI=1S/C23H26FN3O/c24-21-11-7-10-20(16-21)22-17-27(15-14-26-12-5-2-6-13-26)25-23(22)28-18-19-8-3-1-4-9-19/h1,3-4,7-11,16-17H,2,5-6,12-15,18H2
InChIKeyNCDVDXMEZVDHHG-UHFFFAOYSA-N
MW379.48 g/mol
LogP4.75
Rot. Bonds7

About 1-[2-[4-(3-fluorophenyl)-3-phenylmethoxypyrazol-1-yl]ethyl]piperidine

1-[2-[4-(3-fluorophenyl)-3-phenylmethoxypyrazol-1-yl]ethyl]piperidine (PubChem CID 67013428) has the molecular formula C23H26FN3O and a molecular weight of 379.48 g/mol. Its IUPAC name is 1-[2-[4-(3-fluorophenyl)-3-phenylmethoxypyrazol-1-yl]ethyl]piperidine.

Molecular Properties

Compound Name1-[2-[4-(3-fluorophenyl)-3-phenylmethoxypyrazol-1-yl]ethyl]piperidine
PubChem CID67013428
Molecular FormulaC23H26FN3O
Molecular Weight379.48 g/mol
Exact Mass379.21
IUPAC Name1-[2-[4-(3-fluorophenyl)-3-phenylmethoxypyrazol-1-yl]ethyl]piperidine
SMILESFc1cccc(-c2cn(CCN3CCCCC3)nc2OCc2ccccc2)c1
InChIInChI=1S/C23H26FN3O/c24-21-11-7-10-20(16-21)22-17-27(15-14-26-12-5-2-6-13-26)25-23(22)28-18-19-8-3-1-4-9-19/h1,3-4,7-11,16-17H,2,5-6,12-15,18H2
InChIKeyNCDVDXMEZVDHHG-UHFFFAOYSA-N
XLogP4.75
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(3-fluorophenyl)-3-phenylmethoxypyrazol-1-yl]ethyl]piperidine?
The IUPAC name of 1-[2-[4-(3-fluorophenyl)-3-phenylmethoxypyrazol-1-yl]ethyl]piperidine (CID 67013428) is 1-[2-[4-(3-fluorophenyl)-3-phenylmethoxypyrazol-1-yl]ethyl]piperidine.
What is the SMILES notation for 1-[2-[4-(3-fluorophenyl)-3-phenylmethoxypyrazol-1-yl]ethyl]piperidine?
The canonical SMILES for 1-[2-[4-(3-fluorophenyl)-3-phenylmethoxypyrazol-1-yl]ethyl]piperidine is Fc1cccc(-c2cn(CCN3CCCCC3)nc2OCc2ccccc2)c1.
What is the InChIKey of 1-[2-[4-(3-fluorophenyl)-3-phenylmethoxypyrazol-1-yl]ethyl]piperidine?
The InChIKey is NCDVDXMEZVDHHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O/c24-21-11-7-10-20(16-21)22-17-27(15-14-26-12-5-2-6-13-26)25-23(22)28-18-19-8-3-1-4-9-19/h1,3-4,7-11,16-17H,2,5-6,12-15,18H2.
What are the key properties of 1-[2-[4-(3-fluorophenyl)-3-phenylmethoxypyrazol-1-yl]ethyl]piperidine?
1-[2-[4-(3-fluorophenyl)-3-phenylmethoxypyrazol-1-yl]ethyl]piperidine has a molecular weight of 379.48 g/mol, XLogP of 4.75, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(3-fluorophenyl)-3-phenylmethoxypyrazol-1-yl]ethyl]piperidine is sourced from PubChem (CID 67013428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).