1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-phenylpiperidin-3-amine

C21H23FN4 — CID 45233001

IUPAC1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-phenylpiperidin-3-amine
SMILESFc1ccc(-c2[nH]ncc2CN2CCCC(Nc3ccccc3)C2)cc1
InChIInChI=1S/C21H23FN4/c22-18-10-8-16(9-11-18)21-17(13-23-25-21)14-26-12-4-7-20(15-26)24-19-5-2-1-3-6-19/h1-3,5-6,8-11,13,20,24H,4,7,12,14-15H2,(H,23,25)
InChIKeyMCTZONKVZMBTST-UHFFFAOYSA-N
MW350.44 g/mol
LogP4.29
Rot. Bonds5

About 1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-phenylpiperidin-3-amine

1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-phenylpiperidin-3-amine (PubChem CID 45233001) has the molecular formula C21H23FN4 and a molecular weight of 350.44 g/mol. Its IUPAC name is 1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-phenylpiperidin-3-amine.

Molecular Properties

Compound Name1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-phenylpiperidin-3-amine
PubChem CID45233001
Molecular FormulaC21H23FN4
Molecular Weight350.44 g/mol
Exact Mass350.19
IUPAC Name1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-phenylpiperidin-3-amine
SMILESFc1ccc(-c2[nH]ncc2CN2CCCC(Nc3ccccc3)C2)cc1
InChIInChI=1S/C21H23FN4/c22-18-10-8-16(9-11-18)21-17(13-23-25-21)14-26-12-4-7-20(15-26)24-19-5-2-1-3-6-19/h1-3,5-6,8-11,13,20,24H,4,7,12,14-15H2,(H,23,25)
InChIKeyMCTZONKVZMBTST-UHFFFAOYSA-N
XLogP4.29
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-phenylpiperidin-3-amine?
The IUPAC name of 1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-phenylpiperidin-3-amine (CID 45233001) is 1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-phenylpiperidin-3-amine.
What is the SMILES notation for 1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-phenylpiperidin-3-amine?
The canonical SMILES for 1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-phenylpiperidin-3-amine is Fc1ccc(-c2[nH]ncc2CN2CCCC(Nc3ccccc3)C2)cc1.
What is the InChIKey of 1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-phenylpiperidin-3-amine?
The InChIKey is MCTZONKVZMBTST-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4/c22-18-10-8-16(9-11-18)21-17(13-23-25-21)14-26-12-4-7-20(15-26)24-19-5-2-1-3-6-19/h1-3,5-6,8-11,13,20,24H,4,7,12,14-15H2,(H,23,25).
What are the key properties of 1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-phenylpiperidin-3-amine?
1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-phenylpiperidin-3-amine has a molecular weight of 350.44 g/mol, XLogP of 4.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-phenylpiperidin-3-amine is sourced from PubChem (CID 45233001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).