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

C12H20N4O — CID 55251426

IUPAC4-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethoxy]piperidine
SMILESc1nnc(CCOC2CCNCC2)n1C1CC1
InChIInChI=1S/C12H20N4O/c1-2-10(1)16-9-14-15-12(16)5-8-17-11-3-6-13-7-4-11/h9-11,13H,1-8H2
InChIKeyDSYJFBUGTLDABK-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.92
Rot. Bonds5

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

4-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethoxy]piperidine (PubChem CID 55251426) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 4-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethoxy]piperidine.

Molecular Properties

Compound Name4-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethoxy]piperidine
PubChem CID55251426
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name4-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethoxy]piperidine
SMILESc1nnc(CCOC2CCNCC2)n1C1CC1
InChIInChI=1S/C12H20N4O/c1-2-10(1)16-9-14-15-12(16)5-8-17-11-3-6-13-7-4-11/h9-11,13H,1-8H2
InChIKeyDSYJFBUGTLDABK-UHFFFAOYSA-N
XLogP0.92
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.92
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-1,2,4-triazol-3-yl)ethoxy]piperidine?
The IUPAC name of 4-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethoxy]piperidine (CID 55251426) is 4-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethoxy]piperidine.
What is the SMILES notation for 4-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethoxy]piperidine?
The canonical SMILES for 4-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethoxy]piperidine is c1nnc(CCOC2CCNCC2)n1C1CC1.
What is the InChIKey of 4-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethoxy]piperidine?
The InChIKey is DSYJFBUGTLDABK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-2-10(1)16-9-14-15-12(16)5-8-17-11-3-6-13-7-4-11/h9-11,13H,1-8H2.
What are the key properties of 4-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethoxy]piperidine?
4-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethoxy]piperidine has a molecular weight of 236.32 g/mol, XLogP of 0.92, 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-1,2,4-triazol-3-yl)ethoxy]piperidine is sourced from PubChem (CID 55251426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).