3-[5-[(4-fluoropiperidin-1-yl)methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine

C15H26FN5O — CID 91765055

IUPAC3-[5-[(4-fluoropiperidin-1-yl)methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine
SMILESCOCCn1c(CN2CCC(F)CC2)nnc1C1CC(N)C1
InChIInChI=1S/C15H26FN5O/c1-22-7-6-21-14(10-20-4-2-12(16)3-5-20)18-19-15(21)11-8-13(17)9-11/h11-13H,2-10,17H2,1H3
InChIKeySSALMZHGRRUNMA-UHFFFAOYSA-N
MW311.41 g/mol
LogP1.06
Rot. Bonds6

About 3-[5-[(4-fluoropiperidin-1-yl)methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine

3-[5-[(4-fluoropiperidin-1-yl)methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine (PubChem CID 91765055) has the molecular formula C15H26FN5O and a molecular weight of 311.41 g/mol. Its IUPAC name is 3-[5-[(4-fluoropiperidin-1-yl)methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-[5-[(4-fluoropiperidin-1-yl)methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine
PubChem CID91765055
Molecular FormulaC15H26FN5O
Molecular Weight311.41 g/mol
Exact Mass311.21
IUPAC Name3-[5-[(4-fluoropiperidin-1-yl)methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine
SMILESCOCCn1c(CN2CCC(F)CC2)nnc1C1CC(N)C1
InChIInChI=1S/C15H26FN5O/c1-22-7-6-21-14(10-20-4-2-12(16)3-5-20)18-19-15(21)11-8-13(17)9-11/h11-13H,2-10,17H2,1H3
InChIKeySSALMZHGRRUNMA-UHFFFAOYSA-N
XLogP1.06
TPSA69.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[5-[(4-fluoropiperidin-1-yl)methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(4-fluoropiperidin-1-yl)methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine?
The IUPAC name of 3-[5-[(4-fluoropiperidin-1-yl)methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine (CID 91765055) is 3-[5-[(4-fluoropiperidin-1-yl)methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine.
What is the SMILES notation for 3-[5-[(4-fluoropiperidin-1-yl)methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine?
The canonical SMILES for 3-[5-[(4-fluoropiperidin-1-yl)methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine is COCCn1c(CN2CCC(F)CC2)nnc1C1CC(N)C1.
What is the InChIKey of 3-[5-[(4-fluoropiperidin-1-yl)methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine?
The InChIKey is SSALMZHGRRUNMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26FN5O/c1-22-7-6-21-14(10-20-4-2-12(16)3-5-20)18-19-15(21)11-8-13(17)9-11/h11-13H,2-10,17H2,1H3.
What are the key properties of 3-[5-[(4-fluoropiperidin-1-yl)methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine?
3-[5-[(4-fluoropiperidin-1-yl)methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine has a molecular weight of 311.41 g/mol, XLogP of 1.06, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(4-fluoropiperidin-1-yl)methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine is sourced from PubChem (CID 91765055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).