2,2,2-trifluoro-1-[4-(1H-imidazol-2-yl)piperidin-1-yl]ethanone

C10H12F3N3O — CID 18695364

IUPAC2,2,2-trifluoro-1-[4-(1H-imidazol-2-yl)piperidin-1-yl]ethanone
SMILESO=C(N1CCC(c2ncc[nH]2)CC1)C(F)(F)F
InChIInChI=1S/C10H12F3N3O/c11-10(12,13)9(17)16-5-1-7(2-6-16)8-14-3-4-15-8/h3-4,7H,1-2,5-6H2,(H,14,15)
InChIKeyBGRQAJCSPDPTQQ-UHFFFAOYSA-N
MW247.22 g/mol
LogP1.68
Rot. Bonds1

About 2,2,2-trifluoro-1-[4-(1H-imidazol-2-yl)piperidin-1-yl]ethanone

2,2,2-trifluoro-1-[4-(1H-imidazol-2-yl)piperidin-1-yl]ethanone (PubChem CID 18695364) has the molecular formula C10H12F3N3O and a molecular weight of 247.22 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[4-(1H-imidazol-2-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[4-(1H-imidazol-2-yl)piperidin-1-yl]ethanone
PubChem CID18695364
Molecular FormulaC10H12F3N3O
Molecular Weight247.22 g/mol
Exact Mass247.09
IUPAC Name2,2,2-trifluoro-1-[4-(1H-imidazol-2-yl)piperidin-1-yl]ethanone
SMILESO=C(N1CCC(c2ncc[nH]2)CC1)C(F)(F)F
InChIInChI=1S/C10H12F3N3O/c11-10(12,13)9(17)16-5-1-7(2-6-16)8-14-3-4-15-8/h3-4,7H,1-2,5-6H2,(H,14,15)
InChIKeyBGRQAJCSPDPTQQ-UHFFFAOYSA-N
XLogP1.68
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1H-Imidazol-2-yl)piperidine
CID 13281190
4-(1H-imidazol-2-yl)-1-[(2,2,3,3-tetrafluoropropoxy)acetyl]piperidine
CID 70748224
3-(1H-imidazol-2-yl)-1-(4,4,4-trifluorobutanoyl)piperidine
CID 70783442
N,N-dimethyl-2-{2-[1-(4,4,4-trifluorobutanoyl)-4-piperidinyl]-1H-imidazol-1-yl}ethanamine
CID 72853722
2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 84585406
4-(1h-Imidazol-2-ylmethyl)piperidine
CID 13281198
4-{[4-(1H-imidazol-2-yl)-1-piperidinyl]carbonyl}-1-methyl-2-imidazolidinone
CID 70773690
Piperidinocarbonylimidazole
CID 54177693
N-(2-imidazol-1-ylethyl)-3-(trifluoromethyl)piperidine-1-carboxamide
CID 45830125
1-[2-(1H-imidazol-2-yl)piperidin-1-yl]-2-(trifluoromethylsulfanyl)ethanone
CID 47089011
N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-3-methylpiperidine-1-carboxamide
CID 53595552
2,2-difluoro-N-({1-[(1-propyl-1H-imidazol-2-yl)methyl]piperidin-3-yl}methyl)acetamide
CID 56753573

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[4-(1H-imidazol-2-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[4-(1H-imidazol-2-yl)piperidin-1-yl]ethanone (CID 18695364) is 2,2,2-trifluoro-1-[4-(1H-imidazol-2-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[4-(1H-imidazol-2-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[4-(1H-imidazol-2-yl)piperidin-1-yl]ethanone is O=C(N1CCC(c2ncc[nH]2)CC1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-[4-(1H-imidazol-2-yl)piperidin-1-yl]ethanone?
The InChIKey is BGRQAJCSPDPTQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O/c11-10(12,13)9(17)16-5-1-7(2-6-16)8-14-3-4-15-8/h3-4,7H,1-2,5-6H2,(H,14,15).
What are the key properties of 2,2,2-trifluoro-1-[4-(1H-imidazol-2-yl)piperidin-1-yl]ethanone?
2,2,2-trifluoro-1-[4-(1H-imidazol-2-yl)piperidin-1-yl]ethanone has a molecular weight of 247.22 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[4-(1H-imidazol-2-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 18695364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).