4-[2-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)ethoxy]piperidine

C13H22N4O — CID 55251425

IUPAC4-[2-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)ethoxy]piperidine
SMILESCc1nnc(CCOC2CCNCC2)n1C1CC1
InChIInChI=1S/C13H22N4O/c1-10-15-16-13(17(10)11-2-3-11)6-9-18-12-4-7-14-8-5-12/h11-12,14H,2-9H2,1H3
InChIKeyOHNLIRLPQFUION-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.23
Rot. Bonds5

About 4-[2-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)ethoxy]piperidine

4-[2-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)ethoxy]piperidine (PubChem CID 55251425) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 4-[2-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)ethoxy]piperidine.

Molecular Properties

Compound Name4-[2-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)ethoxy]piperidine
PubChem CID55251425
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name4-[2-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)ethoxy]piperidine
SMILESCc1nnc(CCOC2CCNCC2)n1C1CC1
InChIInChI=1S/C13H22N4O/c1-10-15-16-13(17(10)11-2-3-11)6-9-18-12-4-7-14-8-5-12/h11-12,14H,2-9H2,1H3
InChIKeyOHNLIRLPQFUION-UHFFFAOYSA-N
XLogP1.23
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)ethoxy]piperidine?
The IUPAC name of 4-[2-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)ethoxy]piperidine (CID 55251425) is 4-[2-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)ethoxy]piperidine.
What is the SMILES notation for 4-[2-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)ethoxy]piperidine?
The canonical SMILES for 4-[2-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)ethoxy]piperidine is Cc1nnc(CCOC2CCNCC2)n1C1CC1.
What is the InChIKey of 4-[2-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)ethoxy]piperidine?
The InChIKey is OHNLIRLPQFUION-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-10-15-16-13(17(10)11-2-3-11)6-9-18-12-4-7-14-8-5-12/h11-12,14H,2-9H2,1H3.
What are the key properties of 4-[2-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)ethoxy]piperidine?
4-[2-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)ethoxy]piperidine has a molecular weight of 250.35 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)ethoxy]piperidine is sourced from PubChem (CID 55251425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).