1-(oxolan-3-ylmethyl)-2-(1H-1,2,4-triazol-5-yl)piperidine

C12H20N4O — CID 75518626

IUPAC1-(oxolan-3-ylmethyl)-2-(1H-1,2,4-triazol-5-yl)piperidine
SMILESc1n[nH]c(C2CCCCN2CC2CCOC2)n1
InChIInChI=1S/C12H20N4O/c1-2-5-16(7-10-4-6-17-8-10)11(3-1)12-13-9-14-15-12/h9-11H,1-8H2,(H,13,14,15)
InChIKeyGTQDDTVZLDUAHM-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.37
Rot. Bonds3

About 1-(oxolan-3-ylmethyl)-2-(1H-1,2,4-triazol-5-yl)piperidine

1-(oxolan-3-ylmethyl)-2-(1H-1,2,4-triazol-5-yl)piperidine (PubChem CID 75518626) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 1-(oxolan-3-ylmethyl)-2-(1H-1,2,4-triazol-5-yl)piperidine.

Molecular Properties

Compound Name1-(oxolan-3-ylmethyl)-2-(1H-1,2,4-triazol-5-yl)piperidine
PubChem CID75518626
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name1-(oxolan-3-ylmethyl)-2-(1H-1,2,4-triazol-5-yl)piperidine
SMILESc1n[nH]c(C2CCCCN2CC2CCOC2)n1
InChIInChI=1S/C12H20N4O/c1-2-5-16(7-10-4-6-17-8-10)11(3-1)12-13-9-14-15-12/h9-11H,1-8H2,(H,13,14,15)
InChIKeyGTQDDTVZLDUAHM-UHFFFAOYSA-N
XLogP1.37
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-3-ylmethyl)-2-(1H-1,2,4-triazol-5-yl)piperidine?
The IUPAC name of 1-(oxolan-3-ylmethyl)-2-(1H-1,2,4-triazol-5-yl)piperidine (CID 75518626) is 1-(oxolan-3-ylmethyl)-2-(1H-1,2,4-triazol-5-yl)piperidine.
What is the SMILES notation for 1-(oxolan-3-ylmethyl)-2-(1H-1,2,4-triazol-5-yl)piperidine?
The canonical SMILES for 1-(oxolan-3-ylmethyl)-2-(1H-1,2,4-triazol-5-yl)piperidine is c1n[nH]c(C2CCCCN2CC2CCOC2)n1.
What is the InChIKey of 1-(oxolan-3-ylmethyl)-2-(1H-1,2,4-triazol-5-yl)piperidine?
The InChIKey is GTQDDTVZLDUAHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-2-5-16(7-10-4-6-17-8-10)11(3-1)12-13-9-14-15-12/h9-11H,1-8H2,(H,13,14,15).
What are the key properties of 1-(oxolan-3-ylmethyl)-2-(1H-1,2,4-triazol-5-yl)piperidine?
1-(oxolan-3-ylmethyl)-2-(1H-1,2,4-triazol-5-yl)piperidine has a molecular weight of 236.32 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-3-ylmethyl)-2-(1H-1,2,4-triazol-5-yl)piperidine is sourced from PubChem (CID 75518626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).