[4-(ethylaminomethyl)piperidin-1-yl]-[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methanone

C18H22F3N5O — CID 119648240

IUPAC[4-(ethylaminomethyl)piperidin-1-yl]-[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methanone
SMILESCCNCC1CCN(C(=O)c2cn(-c3ccccc3C(F)(F)F)nn2)CC1
InChIInChI=1S/C18H22F3N5O/c1-2-22-11-13-7-9-25(10-8-13)17(27)15-12-26(24-23-15)16-6-4-3-5-14(16)18(19,20)21/h3-6,12-13,22H,2,7-11H2,1H3
InChIKeyWNVHQCUFDCVGCP-UHFFFAOYSA-N
MW381.40 g/mol
LogP2.75
Rot. Bonds5

About [4-(ethylaminomethyl)piperidin-1-yl]-[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methanone

[4-(ethylaminomethyl)piperidin-1-yl]-[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methanone (PubChem CID 119648240) has the molecular formula C18H22F3N5O and a molecular weight of 381.40 g/mol. Its IUPAC name is [4-(ethylaminomethyl)piperidin-1-yl]-[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methanone.

Molecular Properties

Compound Name[4-(ethylaminomethyl)piperidin-1-yl]-[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methanone
PubChem CID119648240
Molecular FormulaC18H22F3N5O
Molecular Weight381.40 g/mol
Exact Mass381.18
IUPAC Name[4-(ethylaminomethyl)piperidin-1-yl]-[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methanone
SMILESCCNCC1CCN(C(=O)c2cn(-c3ccccc3C(F)(F)F)nn2)CC1
InChIInChI=1S/C18H22F3N5O/c1-2-22-11-13-7-9-25(10-8-13)17(27)15-12-26(24-23-15)16-6-4-3-5-14(16)18(19,20)21/h3-6,12-13,22H,2,7-11H2,1H3
InChIKeyWNVHQCUFDCVGCP-UHFFFAOYSA-N
XLogP2.75
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.40
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-propyl-1-[1-[2-(trifluoromethyl)phenyl]triazole-4-carbonyl]piperidine-4-carboxamide
CID 112819537
(4-amino-3,3-dimethylpiperidin-1-yl)-[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methanone
CID 120820021
(3-piperazin-1-ylpyrrolidin-1-yl)-[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methanone
CID 120998025
5-methyl-1-[1-[2-(trifluoromethyl)phenyl]triazole-4-carbonyl]piperidine-3-carboxylic acid
CID 122118632
[4-(ethylaminomethyl)piperidin-1-yl]-[2-fluoro-3-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 84587279
[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methanone
CID 43073095
(4-aminopiperidin-1-yl)-[1-(2-methylphenyl)triazol-4-yl]methanone
CID 66485055
N-(1-amino-2-cyclopropylpropan-2-yl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 119575873
N-(piperidin-3-ylmethyl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide;hydrochloride
CID 119464473
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-[2-(trifluoromethyl)phenoxy]propan-1-one
CID 119646730
N-benzyl-N-cyclopropyl-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 46547209
[4-(ethylaminomethyl)piperidin-1-yl]-[4-fluoro-3-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 119647539

Frequently Asked Questions

What is the IUPAC name of [4-(ethylaminomethyl)piperidin-1-yl]-[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methanone?
The IUPAC name of [4-(ethylaminomethyl)piperidin-1-yl]-[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methanone (CID 119648240) is [4-(ethylaminomethyl)piperidin-1-yl]-[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methanone.
What is the SMILES notation for [4-(ethylaminomethyl)piperidin-1-yl]-[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methanone?
The canonical SMILES for [4-(ethylaminomethyl)piperidin-1-yl]-[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methanone is CCNCC1CCN(C(=O)c2cn(-c3ccccc3C(F)(F)F)nn2)CC1.
What is the InChIKey of [4-(ethylaminomethyl)piperidin-1-yl]-[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methanone?
The InChIKey is WNVHQCUFDCVGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3N5O/c1-2-22-11-13-7-9-25(10-8-13)17(27)15-12-26(24-23-15)16-6-4-3-5-14(16)18(19,20)21/h3-6,12-13,22H,2,7-11H2,1H3.
What are the key properties of [4-(ethylaminomethyl)piperidin-1-yl]-[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methanone?
[4-(ethylaminomethyl)piperidin-1-yl]-[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methanone has a molecular weight of 381.40 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(ethylaminomethyl)piperidin-1-yl]-[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methanone is sourced from PubChem (CID 119648240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).