2-fluoroethyl 4-(5-amino-1-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxylate

C11H18FN5O2 — CID 126835075

IUPAC2-fluoroethyl 4-(5-amino-1-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxylate
SMILESCn1nc(C2CCN(C(=O)OCCF)CC2)nc1N
InChIInChI=1S/C11H18FN5O2/c1-16-10(13)14-9(15-16)8-2-5-17(6-3-8)11(18)19-7-4-12/h8H,2-7H2,1H3,(H2,13,14,15)
InChIKeyIDUSPVFELRWJMD-UHFFFAOYSA-N
MW271.30 g/mol
LogP0.68
Rot. Bonds3

About 2-fluoroethyl 4-(5-amino-1-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxylate

2-fluoroethyl 4-(5-amino-1-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxylate (PubChem CID 126835075) has the molecular formula C11H18FN5O2 and a molecular weight of 271.30 g/mol. Its IUPAC name is 2-fluoroethyl 4-(5-amino-1-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Name2-fluoroethyl 4-(5-amino-1-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxylate
PubChem CID126835075
Molecular FormulaC11H18FN5O2
Molecular Weight271.30 g/mol
Exact Mass271.14
IUPAC Name2-fluoroethyl 4-(5-amino-1-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxylate
SMILESCn1nc(C2CCN(C(=O)OCCF)CC2)nc1N
InChIInChI=1S/C11H18FN5O2/c1-16-10(13)14-9(15-16)8-2-5-17(6-3-8)11(18)19-7-4-12/h8H,2-7H2,1H3,(H2,13,14,15)
InChIKeyIDUSPVFELRWJMD-UHFFFAOYSA-N
XLogP0.68
TPSA86.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

tert-butyl 4-(5-amino-1-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxylate
CID 91647484
Ethyl ((7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl)carbamate
CID 121022031
Tert-butyl 4-fluoro-4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxylate
CID 170762063
Tert-butyl 4-fluoro-4-(1-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxylate
CID 178064838
2,2,2-Trifluoroethyl 3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxylate
CID 65173777
N,N-dimethyl-4-[5-methyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]piperidine-1-carboxamide
CID 72892623
2,2,2-trifluoroethyl (3R)-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxylate
CID 97051372
2,2,2-trifluoroethyl (3S)-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxylate
CID 97051373
ethyl N-[[(7R)-7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]carbamate
CID 129357999
ethyl N-[[(7S)-7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]carbamate
CID 129358000
4-[3-(methoxymethyl)-1-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-5-yl]-N,N-dimethylpiperidine-1-carboxamide
CID 129612805
propyl N-methyl-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]carbamate
CID 136559708

Frequently Asked Questions

What is the IUPAC name of 2-fluoroethyl 4-(5-amino-1-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxylate?
The IUPAC name of 2-fluoroethyl 4-(5-amino-1-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxylate (CID 126835075) is 2-fluoroethyl 4-(5-amino-1-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxylate.
What is the SMILES notation for 2-fluoroethyl 4-(5-amino-1-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxylate?
The canonical SMILES for 2-fluoroethyl 4-(5-amino-1-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxylate is Cn1nc(C2CCN(C(=O)OCCF)CC2)nc1N.
What is the InChIKey of 2-fluoroethyl 4-(5-amino-1-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxylate?
The InChIKey is IDUSPVFELRWJMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FN5O2/c1-16-10(13)14-9(15-16)8-2-5-17(6-3-8)11(18)19-7-4-12/h8H,2-7H2,1H3,(H2,13,14,15).
What are the key properties of 2-fluoroethyl 4-(5-amino-1-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxylate?
2-fluoroethyl 4-(5-amino-1-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxylate has a molecular weight of 271.30 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroethyl 4-(5-amino-1-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxylate is sourced from PubChem (CID 126835075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).