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

C12H22N4O — CID 55107397

IUPAC3-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]piperidine
SMILESCOCCn1cnnc1CCC1CCCNC1
InChIInChI=1S/C12H22N4O/c1-17-8-7-16-10-14-15-12(16)5-4-11-3-2-6-13-9-11/h10-11,13H,2-9H2,1H3
InChIKeyKQAQTVXGIYCVMA-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.86
Rot. Bonds6

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

3-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]piperidine (PubChem CID 55107397) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]piperidine.

Molecular Properties

Compound Name3-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]piperidine
PubChem CID55107397
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name3-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]piperidine
SMILESCOCCn1cnnc1CCC1CCCNC1
InChIInChI=1S/C12H22N4O/c1-17-8-7-16-10-14-15-12(16)5-4-11-3-2-6-13-9-11/h10-11,13H,2-9H2,1H3
InChIKeyKQAQTVXGIYCVMA-UHFFFAOYSA-N
XLogP0.86
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]piperidine?
The IUPAC name of 3-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]piperidine (CID 55107397) is 3-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]piperidine.
What is the SMILES notation for 3-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]piperidine?
The canonical SMILES for 3-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]piperidine is COCCn1cnnc1CCC1CCCNC1.
What is the InChIKey of 3-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]piperidine?
The InChIKey is KQAQTVXGIYCVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-17-8-7-16-10-14-15-12(16)5-4-11-3-2-6-13-9-11/h10-11,13H,2-9H2,1H3.
What are the key properties of 3-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]piperidine?
3-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]piperidine has a molecular weight of 238.33 g/mol, XLogP of 0.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]piperidine is sourced from PubChem (CID 55107397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).