1-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-4-(4-methyl-1,2,4-triazol-3-yl)piperidine

C14H21FN6 — CID 167802424

IUPAC1-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-4-(4-methyl-1,2,4-triazol-3-yl)piperidine
SMILESCn1cnnc1C1CCN(Cc2cnn(CCF)c2)CC1
InChIInChI=1S/C14H21FN6/c1-19-11-16-18-14(19)13-2-5-20(6-3-13)9-12-8-17-21(10-12)7-4-15/h8,10-11,13H,2-7,9H2,1H3
InChIKeyBOTGBHSBVZMXLP-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.36
Rot. Bonds5

About 1-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-4-(4-methyl-1,2,4-triazol-3-yl)piperidine

1-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-4-(4-methyl-1,2,4-triazol-3-yl)piperidine (PubChem CID 167802424) has the molecular formula C14H21FN6 and a molecular weight of 292.36 g/mol. Its IUPAC name is 1-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-4-(4-methyl-1,2,4-triazol-3-yl)piperidine.

Molecular Properties

Compound Name1-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-4-(4-methyl-1,2,4-triazol-3-yl)piperidine
PubChem CID167802424
Molecular FormulaC14H21FN6
Molecular Weight292.36 g/mol
Exact Mass292.18
IUPAC Name1-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-4-(4-methyl-1,2,4-triazol-3-yl)piperidine
SMILESCn1cnnc1C1CCN(Cc2cnn(CCF)c2)CC1
InChIInChI=1S/C14H21FN6/c1-19-11-16-18-14(19)13-2-5-20(6-3-13)9-12-8-17-21(10-12)7-4-15/h8,10-11,13H,2-7,9H2,1H3
InChIKeyBOTGBHSBVZMXLP-UHFFFAOYSA-N
XLogP1.36
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-4-(4-methyl-1,2,4-triazol-3-yl)piperidine?
The IUPAC name of 1-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-4-(4-methyl-1,2,4-triazol-3-yl)piperidine (CID 167802424) is 1-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-4-(4-methyl-1,2,4-triazol-3-yl)piperidine.
What is the SMILES notation for 1-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-4-(4-methyl-1,2,4-triazol-3-yl)piperidine?
The canonical SMILES for 1-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-4-(4-methyl-1,2,4-triazol-3-yl)piperidine is Cn1cnnc1C1CCN(Cc2cnn(CCF)c2)CC1.
What is the InChIKey of 1-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-4-(4-methyl-1,2,4-triazol-3-yl)piperidine?
The InChIKey is BOTGBHSBVZMXLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN6/c1-19-11-16-18-14(19)13-2-5-20(6-3-13)9-12-8-17-21(10-12)7-4-15/h8,10-11,13H,2-7,9H2,1H3.
What are the key properties of 1-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-4-(4-methyl-1,2,4-triazol-3-yl)piperidine?
1-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-4-(4-methyl-1,2,4-triazol-3-yl)piperidine has a molecular weight of 292.36 g/mol, XLogP of 1.36, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-4-(4-methyl-1,2,4-triazol-3-yl)piperidine is sourced from PubChem (CID 167802424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).