4,4-difluoro-1-[[5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]methyl]piperidine

C12H14F2N4S — CID 175942157

IUPAC4,4-difluoro-1-[[5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]methyl]piperidine
SMILESFC1(F)CCN(Cc2ccc(-c3ncn[nH]3)s2)CC1
InChIInChI=1S/C12H14F2N4S/c13-12(14)3-5-18(6-4-12)7-9-1-2-10(19-9)11-15-8-16-17-11/h1-2,8H,3-7H2,(H,15,16,17)
InChIKeyQPYDHBPTIVQCTE-UHFFFAOYSA-N
MW284.33 g/mol
LogP2.76
Rot. Bonds3

About 4,4-difluoro-1-[[5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]methyl]piperidine

4,4-difluoro-1-[[5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]methyl]piperidine (PubChem CID 175942157) has the molecular formula C12H14F2N4S and a molecular weight of 284.33 g/mol. Its IUPAC name is 4,4-difluoro-1-[[5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]methyl]piperidine.

Molecular Properties

Compound Name4,4-difluoro-1-[[5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]methyl]piperidine
PubChem CID175942157
Molecular FormulaC12H14F2N4S
Molecular Weight284.33 g/mol
Exact Mass284.09
IUPAC Name4,4-difluoro-1-[[5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]methyl]piperidine
SMILESFC1(F)CCN(Cc2ccc(-c3ncn[nH]3)s2)CC1
InChIInChI=1S/C12H14F2N4S/c13-12(14)3-5-18(6-4-12)7-9-1-2-10(19-9)11-15-8-16-17-11/h1-2,8H,3-7H2,(H,15,16,17)
InChIKeyQPYDHBPTIVQCTE-UHFFFAOYSA-N
XLogP2.76
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4,4-difluoro-1-[[5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]methyl]piperidine with MolForge

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Related Compounds

1-[(5-methyl-2-thienyl)methyl]-3-(5-methyl-4H-1,2,4-triazol-3-yl)piperidine
CID 53192044
1-[(5-methylthiophen-2-yl)methyl]-4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine
CID 53192264
3-(Thiophen-2-yl)-5-(trifluoromethyl)-1H-1,2,4-triazole
CID 58657237
4-(2-Fluoroethyl)-3-thiophen-2-yl-1,2,4-triazole
CID 141116145
5-[5-(4-fluorophenyl)thiophen-2-yl]-1H-1,2,4-triazole
CID 164955289
5-butan-2-yl-3-[5-(trifluoromethyl)thiophen-2-yl]-1H-1,2,4-triazole
CID 169121859
5-propan-2-yl-3-[5-(trifluoromethyl)thiophen-2-yl]-1H-1,2,4-triazole
CID 177129403
5-(difluoromethyl)-3-thiophen-2-yl-1H-1,2,4-triazole
CID 62733582
5-(1,1,2,2,2-pentafluoroethyl)-3-thiophen-2-yl-1H-1,2,4-triazole
CID 62733768
3-thiophen-2-yl-5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole
CID 62734704
3-thiophen-2-yl-5-(3,3,3-trifluoropropyl)-1H-1,2,4-triazole
CID 65709755
2,2,2-trifluoro-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]ethanamine
CID 79266064

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-1-[[5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]methyl]piperidine?
The IUPAC name of 4,4-difluoro-1-[[5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]methyl]piperidine (CID 175942157) is 4,4-difluoro-1-[[5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]methyl]piperidine.
What is the SMILES notation for 4,4-difluoro-1-[[5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]methyl]piperidine?
The canonical SMILES for 4,4-difluoro-1-[[5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]methyl]piperidine is FC1(F)CCN(Cc2ccc(-c3ncn[nH]3)s2)CC1.
What is the InChIKey of 4,4-difluoro-1-[[5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]methyl]piperidine?
The InChIKey is QPYDHBPTIVQCTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N4S/c13-12(14)3-5-18(6-4-12)7-9-1-2-10(19-9)11-15-8-16-17-11/h1-2,8H,3-7H2,(H,15,16,17).
What are the key properties of 4,4-difluoro-1-[[5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]methyl]piperidine?
4,4-difluoro-1-[[5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]methyl]piperidine has a molecular weight of 284.33 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-1-[[5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]methyl]piperidine is sourced from PubChem (CID 175942157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).