1-cyclopentyl-4-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]piperidine

C18H23FN4 — CID 53192325

IUPAC1-cyclopentyl-4-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]piperidine
SMILESFc1ccc(-c2n[nH]c(C3CCN(C4CCCC4)CC3)n2)cc1
InChIInChI=1S/C18H23FN4/c19-15-7-5-13(6-8-15)17-20-18(22-21-17)14-9-11-23(12-10-14)16-3-1-2-4-16/h5-8,14,16H,1-4,9-12H2,(H,20,21,22)
InChIKeyPXAFNBXXRADUIC-UHFFFAOYSA-N
MW314.41 g/mol
LogP3.73
Rot. Bonds3

About 1-cyclopentyl-4-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]piperidine

1-cyclopentyl-4-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]piperidine (PubChem CID 53192325) has the molecular formula C18H23FN4 and a molecular weight of 314.41 g/mol. Its IUPAC name is 1-cyclopentyl-4-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]piperidine.

Molecular Properties

Compound Name1-cyclopentyl-4-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]piperidine
PubChem CID53192325
Molecular FormulaC18H23FN4
Molecular Weight314.41 g/mol
Exact Mass314.19
IUPAC Name1-cyclopentyl-4-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]piperidine
SMILESFc1ccc(-c2n[nH]c(C3CCN(C4CCCC4)CC3)n2)cc1
InChIInChI=1S/C18H23FN4/c19-15-7-5-13(6-8-15)17-20-18(22-21-17)14-9-11-23(12-10-14)16-3-1-2-4-16/h5-8,14,16H,1-4,9-12H2,(H,20,21,22)
InChIKeyPXAFNBXXRADUIC-UHFFFAOYSA-N
XLogP3.73
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]piperidine?
The IUPAC name of 1-cyclopentyl-4-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]piperidine (CID 53192325) is 1-cyclopentyl-4-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]piperidine.
What is the SMILES notation for 1-cyclopentyl-4-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]piperidine?
The canonical SMILES for 1-cyclopentyl-4-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]piperidine is Fc1ccc(-c2n[nH]c(C3CCN(C4CCCC4)CC3)n2)cc1.
What is the InChIKey of 1-cyclopentyl-4-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]piperidine?
The InChIKey is PXAFNBXXRADUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4/c19-15-7-5-13(6-8-15)17-20-18(22-21-17)14-9-11-23(12-10-14)16-3-1-2-4-16/h5-8,14,16H,1-4,9-12H2,(H,20,21,22).
What are the key properties of 1-cyclopentyl-4-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]piperidine?
1-cyclopentyl-4-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]piperidine has a molecular weight of 314.41 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]piperidine is sourced from PubChem (CID 53192325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).