3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-1-propan-2-ylpiperidine

C13H24N4O — CID 73439203

IUPAC3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-1-propan-2-ylpiperidine
SMILESCOCCn1cnnc1C1CCCN(C(C)C)C1
InChIInChI=1S/C13H24N4O/c1-11(2)16-6-4-5-12(9-16)13-15-14-10-17(13)7-8-18-3/h10-12H,4-9H2,1-3H3
InChIKeyDMQJZFPJQKXYRK-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.51
Rot. Bonds5

About 3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-1-propan-2-ylpiperidine

3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-1-propan-2-ylpiperidine (PubChem CID 73439203) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-1-propan-2-ylpiperidine.

Molecular Properties

Compound Name3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-1-propan-2-ylpiperidine
PubChem CID73439203
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-1-propan-2-ylpiperidine
SMILESCOCCn1cnnc1C1CCCN(C(C)C)C1
InChIInChI=1S/C13H24N4O/c1-11(2)16-6-4-5-12(9-16)13-15-14-10-17(13)7-8-18-3/h10-12H,4-9H2,1-3H3
InChIKeyDMQJZFPJQKXYRK-UHFFFAOYSA-N
XLogP1.51
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-1-propan-2-ylpiperidine 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-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-1-propan-2-ylpiperidine?
The IUPAC name of 3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-1-propan-2-ylpiperidine (CID 73439203) is 3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-1-propan-2-ylpiperidine.
What is the SMILES notation for 3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-1-propan-2-ylpiperidine?
The canonical SMILES for 3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-1-propan-2-ylpiperidine is COCCn1cnnc1C1CCCN(C(C)C)C1.
What is the InChIKey of 3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-1-propan-2-ylpiperidine?
The InChIKey is DMQJZFPJQKXYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-11(2)16-6-4-5-12(9-16)13-15-14-10-17(13)7-8-18-3/h10-12H,4-9H2,1-3H3.
What are the key properties of 3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-1-propan-2-ylpiperidine?
3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-1-propan-2-ylpiperidine has a molecular weight of 252.36 g/mol, XLogP of 1.51, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-1-propan-2-ylpiperidine is sourced from PubChem (CID 73439203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).