1-(4,4-difluoropiperidin-1-yl)-2-(1,2,4-triazol-1-yl)ethanone

C9H12F2N4O — CID 121184588

IUPAC1-(4,4-difluoropiperidin-1-yl)-2-(1,2,4-triazol-1-yl)ethanone
SMILESO=C(Cn1cncn1)N1CCC(F)(F)CC1
InChIInChI=1S/C9H12F2N4O/c10-9(11)1-3-14(4-2-9)8(16)5-15-7-12-6-13-15/h6-7H,1-5H2
InChIKeySVQNYWCBJXXMHW-UHFFFAOYSA-N
MW230.22 g/mol
LogP0.54
Rot. Bonds2

About 1-(4,4-difluoropiperidin-1-yl)-2-(1,2,4-triazol-1-yl)ethanone

1-(4,4-difluoropiperidin-1-yl)-2-(1,2,4-triazol-1-yl)ethanone (PubChem CID 121184588) has the molecular formula C9H12F2N4O and a molecular weight of 230.22 g/mol. Its IUPAC name is 1-(4,4-difluoropiperidin-1-yl)-2-(1,2,4-triazol-1-yl)ethanone.

Molecular Properties

Compound Name1-(4,4-difluoropiperidin-1-yl)-2-(1,2,4-triazol-1-yl)ethanone
PubChem CID121184588
Molecular FormulaC9H12F2N4O
Molecular Weight230.22 g/mol
Exact Mass230.10
IUPAC Name1-(4,4-difluoropiperidin-1-yl)-2-(1,2,4-triazol-1-yl)ethanone
SMILESO=C(Cn1cncn1)N1CCC(F)(F)CC1
InChIInChI=1S/C9H12F2N4O/c10-9(11)1-3-14(4-2-9)8(16)5-15-7-12-6-13-15/h6-7H,1-5H2
InChIKeySVQNYWCBJXXMHW-UHFFFAOYSA-N
XLogP0.54
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-dichloro-1H-1,2,4-triazol-1-yl)-1-(piperidin-1-yl)ethanone
CID 656255
1-[(3,5-dibromo-1H-1,2,4-triazol-1-yl)acetyl]piperidine
CID 9420589
1-(4-Propan-2-ylpiperazin-1-yl)-2-(1,2,4-triazol-1-yl)propan-1-one
CID 53500648
2-(3-Nitro-1,2,4-triazol-1-yl)-1-piperidin-1-ylethanone
CID 815414
1-(2,4-Dimethylpiperazin-1-yl)-2-(1,2,4-triazol-1-yl)propan-1-one
CID 71877432
2-Piperidin-1-yl-3-(1,2,4-triazol-1-yl)propanoyl fluoride
CID 146508295
N-piperidin-4-yl-2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 43603376
N-piperidin-4-yl-2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide
CID 43603380
2-(1,2,4-Triazol-1-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]propan-1-one
CID 45809901
1-[2-Oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]-1,2,4-triazole-3-carbonitrile
CID 47288421
3-(1,2,4-Triazol-1-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]propan-1-one
CID 51075636
2-(3-amino-1,2,4-triazol-1-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide
CID 55006974

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluoropiperidin-1-yl)-2-(1,2,4-triazol-1-yl)ethanone?
The IUPAC name of 1-(4,4-difluoropiperidin-1-yl)-2-(1,2,4-triazol-1-yl)ethanone (CID 121184588) is 1-(4,4-difluoropiperidin-1-yl)-2-(1,2,4-triazol-1-yl)ethanone.
What is the SMILES notation for 1-(4,4-difluoropiperidin-1-yl)-2-(1,2,4-triazol-1-yl)ethanone?
The canonical SMILES for 1-(4,4-difluoropiperidin-1-yl)-2-(1,2,4-triazol-1-yl)ethanone is O=C(Cn1cncn1)N1CCC(F)(F)CC1.
What is the InChIKey of 1-(4,4-difluoropiperidin-1-yl)-2-(1,2,4-triazol-1-yl)ethanone?
The InChIKey is SVQNYWCBJXXMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N4O/c10-9(11)1-3-14(4-2-9)8(16)5-15-7-12-6-13-15/h6-7H,1-5H2.
What are the key properties of 1-(4,4-difluoropiperidin-1-yl)-2-(1,2,4-triazol-1-yl)ethanone?
1-(4,4-difluoropiperidin-1-yl)-2-(1,2,4-triazol-1-yl)ethanone has a molecular weight of 230.22 g/mol, XLogP of 0.54, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluoropiperidin-1-yl)-2-(1,2,4-triazol-1-yl)ethanone is sourced from PubChem (CID 121184588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).