2-[4-(hydroxymethyl)triazol-1-yl]-1-(4-methyl-4-phenylpiperidin-1-yl)ethanone

C17H22N4O2 — CID 75388098

IUPAC2-[4-(hydroxymethyl)triazol-1-yl]-1-(4-methyl-4-phenylpiperidin-1-yl)ethanone
SMILESCC1(c2ccccc2)CCN(C(=O)Cn2cc(CO)nn2)CC1
InChIInChI=1S/C17H22N4O2/c1-17(14-5-3-2-4-6-14)7-9-20(10-8-17)16(23)12-21-11-15(13-22)18-19-21/h2-6,11,22H,7-10,12-13H2,1H3
InChIKeySENILHOKIMJEOG-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.35
Rot. Bonds4

About 2-[4-(hydroxymethyl)triazol-1-yl]-1-(4-methyl-4-phenylpiperidin-1-yl)ethanone

2-[4-(hydroxymethyl)triazol-1-yl]-1-(4-methyl-4-phenylpiperidin-1-yl)ethanone (PubChem CID 75388098) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-[4-(hydroxymethyl)triazol-1-yl]-1-(4-methyl-4-phenylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[4-(hydroxymethyl)triazol-1-yl]-1-(4-methyl-4-phenylpiperidin-1-yl)ethanone
PubChem CID75388098
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name2-[4-(hydroxymethyl)triazol-1-yl]-1-(4-methyl-4-phenylpiperidin-1-yl)ethanone
SMILESCC1(c2ccccc2)CCN(C(=O)Cn2cc(CO)nn2)CC1
InChIInChI=1S/C17H22N4O2/c1-17(14-5-3-2-4-6-14)7-9-20(10-8-17)16(23)12-21-11-15(13-22)18-19-21/h2-6,11,22H,7-10,12-13H2,1H3
InChIKeySENILHOKIMJEOG-UHFFFAOYSA-N
XLogP1.35
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(hydroxymethyl)triazol-1-yl]-1-(4-methyl-4-phenylpiperidin-1-yl)ethanone?
The IUPAC name of 2-[4-(hydroxymethyl)triazol-1-yl]-1-(4-methyl-4-phenylpiperidin-1-yl)ethanone (CID 75388098) is 2-[4-(hydroxymethyl)triazol-1-yl]-1-(4-methyl-4-phenylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[4-(hydroxymethyl)triazol-1-yl]-1-(4-methyl-4-phenylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-[4-(hydroxymethyl)triazol-1-yl]-1-(4-methyl-4-phenylpiperidin-1-yl)ethanone is CC1(c2ccccc2)CCN(C(=O)Cn2cc(CO)nn2)CC1.
What is the InChIKey of 2-[4-(hydroxymethyl)triazol-1-yl]-1-(4-methyl-4-phenylpiperidin-1-yl)ethanone?
The InChIKey is SENILHOKIMJEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-17(14-5-3-2-4-6-14)7-9-20(10-8-17)16(23)12-21-11-15(13-22)18-19-21/h2-6,11,22H,7-10,12-13H2,1H3.
What are the key properties of 2-[4-(hydroxymethyl)triazol-1-yl]-1-(4-methyl-4-phenylpiperidin-1-yl)ethanone?
2-[4-(hydroxymethyl)triazol-1-yl]-1-(4-methyl-4-phenylpiperidin-1-yl)ethanone has a molecular weight of 314.39 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(hydroxymethyl)triazol-1-yl]-1-(4-methyl-4-phenylpiperidin-1-yl)ethanone is sourced from PubChem (CID 75388098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).