2-[1-[1-[(2,3-dimethylphenyl)methyl]piperidin-4-yl]triazol-4-yl]ethanol

C18H26N4O — CID 46986437

IUPAC2-[1-[1-[(2,3-dimethylphenyl)methyl]piperidin-4-yl]triazol-4-yl]ethanol
SMILESCc1cccc(CN2CCC(n3cc(CCO)nn3)CC2)c1C
InChIInChI=1S/C18H26N4O/c1-14-4-3-5-16(15(14)2)12-21-9-6-18(7-10-21)22-13-17(8-11-23)19-20-22/h3-5,13,18,23H,6-12H2,1-2H3
InChIKeyFUAFNPFTIDDFKH-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.27
Rot. Bonds5

About 2-[1-[1-[(2,3-dimethylphenyl)methyl]piperidin-4-yl]triazol-4-yl]ethanol

2-[1-[1-[(2,3-dimethylphenyl)methyl]piperidin-4-yl]triazol-4-yl]ethanol (PubChem CID 46986437) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is 2-[1-[1-[(2,3-dimethylphenyl)methyl]piperidin-4-yl]triazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[1-[1-[(2,3-dimethylphenyl)methyl]piperidin-4-yl]triazol-4-yl]ethanol
PubChem CID46986437
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name2-[1-[1-[(2,3-dimethylphenyl)methyl]piperidin-4-yl]triazol-4-yl]ethanol
SMILESCc1cccc(CN2CCC(n3cc(CCO)nn3)CC2)c1C
InChIInChI=1S/C18H26N4O/c1-14-4-3-5-16(15(14)2)12-21-9-6-18(7-10-21)22-13-17(8-11-23)19-20-22/h3-5,13,18,23H,6-12H2,1-2H3
InChIKeyFUAFNPFTIDDFKH-UHFFFAOYSA-N
XLogP2.27
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-[(2,3-dimethylphenyl)methyl]piperidin-4-yl]triazol-4-yl]ethanol?
The IUPAC name of 2-[1-[1-[(2,3-dimethylphenyl)methyl]piperidin-4-yl]triazol-4-yl]ethanol (CID 46986437) is 2-[1-[1-[(2,3-dimethylphenyl)methyl]piperidin-4-yl]triazol-4-yl]ethanol.
What is the SMILES notation for 2-[1-[1-[(2,3-dimethylphenyl)methyl]piperidin-4-yl]triazol-4-yl]ethanol?
The canonical SMILES for 2-[1-[1-[(2,3-dimethylphenyl)methyl]piperidin-4-yl]triazol-4-yl]ethanol is Cc1cccc(CN2CCC(n3cc(CCO)nn3)CC2)c1C.
What is the InChIKey of 2-[1-[1-[(2,3-dimethylphenyl)methyl]piperidin-4-yl]triazol-4-yl]ethanol?
The InChIKey is FUAFNPFTIDDFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O/c1-14-4-3-5-16(15(14)2)12-21-9-6-18(7-10-21)22-13-17(8-11-23)19-20-22/h3-5,13,18,23H,6-12H2,1-2H3.
What are the key properties of 2-[1-[1-[(2,3-dimethylphenyl)methyl]piperidin-4-yl]triazol-4-yl]ethanol?
2-[1-[1-[(2,3-dimethylphenyl)methyl]piperidin-4-yl]triazol-4-yl]ethanol has a molecular weight of 314.43 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-[(2,3-dimethylphenyl)methyl]piperidin-4-yl]triazol-4-yl]ethanol is sourced from PubChem (CID 46986437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).