4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1-phenylpiperidin-4-ol

C16H22N4O — CID 106820857

IUPAC4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1-phenylpiperidin-4-ol
SMILESCCn1ncnc1CC1(O)CCN(c2ccccc2)CC1
InChIInChI=1S/C16H22N4O/c1-2-20-15(17-13-18-20)12-16(21)8-10-19(11-9-16)14-6-4-3-5-7-14/h3-7,13,21H,2,8-12H2,1H3
InChIKeyCIZBUOBOUQETOB-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.87
Rot. Bonds4

About 4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1-phenylpiperidin-4-ol

4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1-phenylpiperidin-4-ol (PubChem CID 106820857) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1-phenylpiperidin-4-ol.

Molecular Properties

Compound Name4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1-phenylpiperidin-4-ol
PubChem CID106820857
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1-phenylpiperidin-4-ol
SMILESCCn1ncnc1CC1(O)CCN(c2ccccc2)CC1
InChIInChI=1S/C16H22N4O/c1-2-20-15(17-13-18-20)12-16(21)8-10-19(11-9-16)14-6-4-3-5-7-14/h3-7,13,21H,2,8-12H2,1H3
InChIKeyCIZBUOBOUQETOB-UHFFFAOYSA-N
XLogP1.87
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

8-[(2-ethyl-1,2,4-triazol-3-yl)methyl]spiro[4.5]decan-8-ol
CID 114819655
4-benzyl-1-phenylpiperidin-4-ol
CID 106820760
3-ethoxy-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-ol
CID 106823381
4-(hydroxymethyl)-1-[(2-phenyl-1,2,4-triazol-3-yl)methyl]piperidin-4-ol
CID 166243082
4-(furan-2-ylmethyl)-1-phenylpiperidin-4-ol
CID 106820831
4-(3-ethylsulfonylpropyl)-1-phenylpiperidin-4-ol
CID 106820916
(2-ethyl-1,2,4-triazol-3-yl)methanol
CID 11412385
[3-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]methanol
CID 66060230
1-ethyl-5-[(3-methylazetidin-3-yl)methyl]-1,2,4-triazole
CID 79451521
4-(4-methylpentyl)-1-phenylpiperidin-4-ol
CID 106820935
2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol
CID 115401406
5-[[3-(2-chlorophenyl)azetidin-3-yl]methyl]-1-ethyl-1,2,4-triazole
CID 79461096

Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1-phenylpiperidin-4-ol?
The IUPAC name of 4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1-phenylpiperidin-4-ol (CID 106820857) is 4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1-phenylpiperidin-4-ol.
What is the SMILES notation for 4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1-phenylpiperidin-4-ol?
The canonical SMILES for 4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1-phenylpiperidin-4-ol is CCn1ncnc1CC1(O)CCN(c2ccccc2)CC1.
What is the InChIKey of 4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1-phenylpiperidin-4-ol?
The InChIKey is CIZBUOBOUQETOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-2-20-15(17-13-18-20)12-16(21)8-10-19(11-9-16)14-6-4-3-5-7-14/h3-7,13,21H,2,8-12H2,1H3.
What are the key properties of 4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1-phenylpiperidin-4-ol?
4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1-phenylpiperidin-4-ol has a molecular weight of 286.38 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1-phenylpiperidin-4-ol is sourced from PubChem (CID 106820857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).