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

C13H24N4O — CID 55164149

IUPAC3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-3-propylpiperidine
SMILESCCCC1(c2nncn2CCOC)CCCNC1
InChIInChI=1S/C13H24N4O/c1-3-5-13(6-4-7-14-10-13)12-16-15-11-17(12)8-9-18-2/h11,14H,3-10H2,1-2H3
InChIKeyGWYLGUULMBRIHI-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.35
Rot. Bonds6

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

3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-3-propylpiperidine (PubChem CID 55164149) 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]-3-propylpiperidine.

Molecular Properties

Compound Name3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-3-propylpiperidine
PubChem CID55164149
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-3-propylpiperidine
SMILESCCCC1(c2nncn2CCOC)CCCNC1
InChIInChI=1S/C13H24N4O/c1-3-5-13(6-4-7-14-10-13)12-16-15-11-17(12)8-9-18-2/h11,14H,3-10H2,1-2H3
InChIKeyGWYLGUULMBRIHI-UHFFFAOYSA-N
XLogP1.35
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-3-propylpiperidine?
The IUPAC name of 3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-3-propylpiperidine (CID 55164149) is 3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-3-propylpiperidine.
What is the SMILES notation for 3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-3-propylpiperidine?
The canonical SMILES for 3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-3-propylpiperidine is CCCC1(c2nncn2CCOC)CCCNC1.
What is the InChIKey of 3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-3-propylpiperidine?
The InChIKey is GWYLGUULMBRIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-3-5-13(6-4-7-14-10-13)12-16-15-11-17(12)8-9-18-2/h11,14H,3-10H2,1-2H3.
What are the key properties of 3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-3-propylpiperidine?
3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-3-propylpiperidine has a molecular weight of 252.36 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 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]-3-propylpiperidine is sourced from PubChem (CID 55164149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).