4-(4-cyclopentyltriazol-1-yl)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperidine

C21H27FN4 — CID 46983246

IUPAC4-(4-cyclopentyltriazol-1-yl)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperidine
SMILESFc1ccc(/C=C/CN2CCC(n3cc(C4CCCC4)nn3)CC2)cc1
InChIInChI=1S/C21H27FN4/c22-19-9-7-17(8-10-19)4-3-13-25-14-11-20(12-15-25)26-16-21(23-24-26)18-5-1-2-6-18/h3-4,7-10,16,18,20H,1-2,5-6,11-15H2/b4-3+
InChIKeyTTWVNLYASWKJNC-ONEGZZNKSA-N
MW354.47 g/mol
LogP4.43
Rot. Bonds5

About 4-(4-cyclopentyltriazol-1-yl)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperidine

4-(4-cyclopentyltriazol-1-yl)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperidine (PubChem CID 46983246) has the molecular formula C21H27FN4 and a molecular weight of 354.47 g/mol. Its IUPAC name is 4-(4-cyclopentyltriazol-1-yl)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperidine.

Molecular Properties

Compound Name4-(4-cyclopentyltriazol-1-yl)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperidine
PubChem CID46983246
Molecular FormulaC21H27FN4
Molecular Weight354.47 g/mol
Exact Mass354.22
IUPAC Name4-(4-cyclopentyltriazol-1-yl)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperidine
SMILESFc1ccc(/C=C/CN2CCC(n3cc(C4CCCC4)nn3)CC2)cc1
InChIInChI=1S/C21H27FN4/c22-19-9-7-17(8-10-19)4-3-13-25-14-11-20(12-15-25)26-16-21(23-24-26)18-5-1-2-6-18/h3-4,7-10,16,18,20H,1-2,5-6,11-15H2/b4-3+
InChIKeyTTWVNLYASWKJNC-ONEGZZNKSA-N
XLogP4.43
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclopentyltriazol-1-yl)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperidine?
The IUPAC name of 4-(4-cyclopentyltriazol-1-yl)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperidine (CID 46983246) is 4-(4-cyclopentyltriazol-1-yl)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperidine.
What is the SMILES notation for 4-(4-cyclopentyltriazol-1-yl)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperidine?
The canonical SMILES for 4-(4-cyclopentyltriazol-1-yl)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperidine is Fc1ccc(/C=C/CN2CCC(n3cc(C4CCCC4)nn3)CC2)cc1.
What is the InChIKey of 4-(4-cyclopentyltriazol-1-yl)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperidine?
The InChIKey is TTWVNLYASWKJNC-ONEGZZNKSA-N. The full InChI is InChI=1S/C21H27FN4/c22-19-9-7-17(8-10-19)4-3-13-25-14-11-20(12-15-25)26-16-21(23-24-26)18-5-1-2-6-18/h3-4,7-10,16,18,20H,1-2,5-6,11-15H2/b4-3+.
What are the key properties of 4-(4-cyclopentyltriazol-1-yl)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperidine?
4-(4-cyclopentyltriazol-1-yl)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperidine has a molecular weight of 354.47 g/mol, XLogP of 4.43, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclopentyltriazol-1-yl)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperidine is sourced from PubChem (CID 46983246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).