2-[4-(4-chloro-2-fluorophenyl)triazol-1-yl]-1-piperidin-3-ylethanol

C15H18ClFN4O — CID 166300281

IUPAC2-[4-(4-chloro-2-fluorophenyl)triazol-1-yl]-1-piperidin-3-ylethanol
SMILESOC(Cn1cc(-c2ccc(Cl)cc2F)nn1)C1CCCNC1
InChIInChI=1S/C15H18ClFN4O/c16-11-3-4-12(13(17)6-11)14-8-21(20-19-14)9-15(22)10-2-1-5-18-7-10/h3-4,6,8,10,15,18,22H,1-2,5,7,9H2
InChIKeyZQYJOBZYSDOTRH-UHFFFAOYSA-N
MW324.79 g/mol
LogP2.10
Rot. Bonds4

About 2-[4-(4-chloro-2-fluorophenyl)triazol-1-yl]-1-piperidin-3-ylethanol

2-[4-(4-chloro-2-fluorophenyl)triazol-1-yl]-1-piperidin-3-ylethanol (PubChem CID 166300281) has the molecular formula C15H18ClFN4O and a molecular weight of 324.79 g/mol. Its IUPAC name is 2-[4-(4-chloro-2-fluorophenyl)triazol-1-yl]-1-piperidin-3-ylethanol.

Molecular Properties

Compound Name2-[4-(4-chloro-2-fluorophenyl)triazol-1-yl]-1-piperidin-3-ylethanol
PubChem CID166300281
Molecular FormulaC15H18ClFN4O
Molecular Weight324.79 g/mol
Exact Mass324.12
IUPAC Name2-[4-(4-chloro-2-fluorophenyl)triazol-1-yl]-1-piperidin-3-ylethanol
SMILESOC(Cn1cc(-c2ccc(Cl)cc2F)nn1)C1CCCNC1
InChIInChI=1S/C15H18ClFN4O/c16-11-3-4-12(13(17)6-11)14-8-21(20-19-14)9-15(22)10-2-1-5-18-7-10/h3-4,6,8,10,15,18,22H,1-2,5,7,9H2
InChIKeyZQYJOBZYSDOTRH-UHFFFAOYSA-N
XLogP2.10
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.79
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3R,4R,6R)-6-(4-chlorophenyl)-1-(cyclohexylmethyl)-4-[4-(4-fluorophenyl)triazol-1-yl]piperidin-3-ol
CID 46902523
(3S,4S,6R)-6-(4-chlorophenyl)-4-[4-(4-fluorophenyl)triazol-1-yl]-1-hexylpiperidin-3-ol
CID 46902587
(3S,4S,6R)-6-(4-chlorophenyl)-1-(cyclohexylmethyl)-4-[4-(4-fluorophenyl)triazol-1-yl]piperidin-3-ol
CID 46902590
(2R,4R,5R)-2-(4-chlorophenyl)-5-[4-(4-fluorophenyl)triazol-1-yl]-1-hexylpiperidin-4-ol
CID 46902616
(2R,4R,5R)-2-(4-chlorophenyl)-1-(cyclohexylmethyl)-5-(4-cyclopropyltriazol-1-yl)piperidin-4-ol
CID 46902619
(2R,4S,5S)-2-(4-chlorophenyl)-5-[4-(4-fluorophenyl)triazol-1-yl]-1-hexylpiperidin-4-ol
CID 46902720
(2R,4S,5S)-2-(4-chlorophenyl)-5-(4-cyclopropyltriazol-1-yl)-1-hexylpiperidin-4-ol
CID 46902721
(2R,4S,5S)-2-(4-chlorophenyl)-1-(cyclohexylmethyl)-5-(4-cyclopropyltriazol-1-yl)piperidin-4-ol
CID 46902724
(2R,4R,5R)-2-(4-chlorophenyl)-5-(4-cyclopropyltriazol-1-yl)-1-hexylpiperidin-4-ol
CID 46902617
(2R,4S,5S)-2-(4-chlorophenyl)-1-(cyclohexylmethyl)-5-[4-(4-fluorophenyl)triazol-1-yl]piperidin-4-ol
CID 46902723
3-{1-[1-(3-chloro-2-fluorobenzyl)-4-piperidinyl]-1H-1,2,3-triazol-4-yl}-1-propanol
CID 30853569
(3R,4S,6R)-6-(4-chlorophenyl)-1-(cyclohexylmethyl)-4-[4-(4-fluorophenyl)triazol-1-yl]piperidin-3-ol
CID 53240103

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chloro-2-fluorophenyl)triazol-1-yl]-1-piperidin-3-ylethanol?
The IUPAC name of 2-[4-(4-chloro-2-fluorophenyl)triazol-1-yl]-1-piperidin-3-ylethanol (CID 166300281) is 2-[4-(4-chloro-2-fluorophenyl)triazol-1-yl]-1-piperidin-3-ylethanol.
What is the SMILES notation for 2-[4-(4-chloro-2-fluorophenyl)triazol-1-yl]-1-piperidin-3-ylethanol?
The canonical SMILES for 2-[4-(4-chloro-2-fluorophenyl)triazol-1-yl]-1-piperidin-3-ylethanol is OC(Cn1cc(-c2ccc(Cl)cc2F)nn1)C1CCCNC1.
What is the InChIKey of 2-[4-(4-chloro-2-fluorophenyl)triazol-1-yl]-1-piperidin-3-ylethanol?
The InChIKey is ZQYJOBZYSDOTRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClFN4O/c16-11-3-4-12(13(17)6-11)14-8-21(20-19-14)9-15(22)10-2-1-5-18-7-10/h3-4,6,8,10,15,18,22H,1-2,5,7,9H2.
What are the key properties of 2-[4-(4-chloro-2-fluorophenyl)triazol-1-yl]-1-piperidin-3-ylethanol?
2-[4-(4-chloro-2-fluorophenyl)triazol-1-yl]-1-piperidin-3-ylethanol has a molecular weight of 324.79 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chloro-2-fluorophenyl)triazol-1-yl]-1-piperidin-3-ylethanol is sourced from PubChem (CID 166300281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).