(2-fluorophenyl)-[4-[4-(2-hydroxypropan-2-yl)triazol-1-yl]piperidin-1-yl]methanone

C17H21FN4O2 — CID 46986559

IUPAC(2-fluorophenyl)-[4-[4-(2-hydroxypropan-2-yl)triazol-1-yl]piperidin-1-yl]methanone
SMILESCC(C)(O)c1cn(C2CCN(C(=O)c3ccccc3F)CC2)nn1
InChIInChI=1S/C17H21FN4O2/c1-17(2,24)15-11-22(20-19-15)12-7-9-21(10-8-12)16(23)13-5-3-4-6-14(13)18/h3-6,11-12,24H,7-10H2,1-2H3
InChIKeyVZVFZHMISDWEAE-UHFFFAOYSA-N
MW332.38 g/mol
LogP2.12
Rot. Bonds3

About (2-fluorophenyl)-[4-[4-(2-hydroxypropan-2-yl)triazol-1-yl]piperidin-1-yl]methanone

(2-fluorophenyl)-[4-[4-(2-hydroxypropan-2-yl)triazol-1-yl]piperidin-1-yl]methanone (PubChem CID 46986559) has the molecular formula C17H21FN4O2 and a molecular weight of 332.38 g/mol. Its IUPAC name is (2-fluorophenyl)-[4-[4-(2-hydroxypropan-2-yl)triazol-1-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-fluorophenyl)-[4-[4-(2-hydroxypropan-2-yl)triazol-1-yl]piperidin-1-yl]methanone
PubChem CID46986559
Molecular FormulaC17H21FN4O2
Molecular Weight332.38 g/mol
Exact Mass332.16
IUPAC Name(2-fluorophenyl)-[4-[4-(2-hydroxypropan-2-yl)triazol-1-yl]piperidin-1-yl]methanone
SMILESCC(C)(O)c1cn(C2CCN(C(=O)c3ccccc3F)CC2)nn1
InChIInChI=1S/C17H21FN4O2/c1-17(2,24)15-11-22(20-19-15)12-7-9-21(10-8-12)16(23)13-5-3-4-6-14(13)18/h3-6,11-12,24H,7-10H2,1-2H3
InChIKeyVZVFZHMISDWEAE-UHFFFAOYSA-N
XLogP2.12
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-[4-[4-(2-hydroxypropan-2-yl)triazol-1-yl]piperidin-1-yl]methanone?
The IUPAC name of (2-fluorophenyl)-[4-[4-(2-hydroxypropan-2-yl)triazol-1-yl]piperidin-1-yl]methanone (CID 46986559) is (2-fluorophenyl)-[4-[4-(2-hydroxypropan-2-yl)triazol-1-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (2-fluorophenyl)-[4-[4-(2-hydroxypropan-2-yl)triazol-1-yl]piperidin-1-yl]methanone?
The canonical SMILES for (2-fluorophenyl)-[4-[4-(2-hydroxypropan-2-yl)triazol-1-yl]piperidin-1-yl]methanone is CC(C)(O)c1cn(C2CCN(C(=O)c3ccccc3F)CC2)nn1.
What is the InChIKey of (2-fluorophenyl)-[4-[4-(2-hydroxypropan-2-yl)triazol-1-yl]piperidin-1-yl]methanone?
The InChIKey is VZVFZHMISDWEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O2/c1-17(2,24)15-11-22(20-19-15)12-7-9-21(10-8-12)16(23)13-5-3-4-6-14(13)18/h3-6,11-12,24H,7-10H2,1-2H3.
What are the key properties of (2-fluorophenyl)-[4-[4-(2-hydroxypropan-2-yl)triazol-1-yl]piperidin-1-yl]methanone?
(2-fluorophenyl)-[4-[4-(2-hydroxypropan-2-yl)triazol-1-yl]piperidin-1-yl]methanone has a molecular weight of 332.38 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-[4-[4-(2-hydroxypropan-2-yl)triazol-1-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 46986559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).