1-(2-piperidin-2-ylethyl)-[1,3]dioxolo[4,5-f]benzotriazole

C14H18N4O2 — CID 82147344

IUPAC1-(2-piperidin-2-ylethyl)-[1,3]dioxolo[4,5-f]benzotriazole
SMILESc1c2c(cc3c1nnn3CCC1CCCCN1)OCO2
InChIInChI=1S/C14H18N4O2/c1-2-5-15-10(3-1)4-6-18-12-8-14-13(19-9-20-14)7-11(12)16-17-18/h7-8,10,15H,1-6,9H2
InChIKeyKMODXKGTRSNEGC-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.69
Rot. Bonds3

About 1-(2-piperidin-2-ylethyl)-[1,3]dioxolo[4,5-f]benzotriazole

1-(2-piperidin-2-ylethyl)-[1,3]dioxolo[4,5-f]benzotriazole (PubChem CID 82147344) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-(2-piperidin-2-ylethyl)-[1,3]dioxolo[4,5-f]benzotriazole.

Molecular Properties

Compound Name1-(2-piperidin-2-ylethyl)-[1,3]dioxolo[4,5-f]benzotriazole
PubChem CID82147344
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name1-(2-piperidin-2-ylethyl)-[1,3]dioxolo[4,5-f]benzotriazole
SMILESc1c2c(cc3c1nnn3CCC1CCCCN1)OCO2
InChIInChI=1S/C14H18N4O2/c1-2-5-15-10(3-1)4-6-18-12-8-14-13(19-9-20-14)7-11(12)16-17-18/h7-8,10,15H,1-6,9H2
InChIKeyKMODXKGTRSNEGC-UHFFFAOYSA-N
XLogP1.69
TPSA61.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-piperidin-2-ylethyl)-[1,3]dioxolo[4,5-f]benzotriazole?
The IUPAC name of 1-(2-piperidin-2-ylethyl)-[1,3]dioxolo[4,5-f]benzotriazole (CID 82147344) is 1-(2-piperidin-2-ylethyl)-[1,3]dioxolo[4,5-f]benzotriazole.
What is the SMILES notation for 1-(2-piperidin-2-ylethyl)-[1,3]dioxolo[4,5-f]benzotriazole?
The canonical SMILES for 1-(2-piperidin-2-ylethyl)-[1,3]dioxolo[4,5-f]benzotriazole is c1c2c(cc3c1nnn3CCC1CCCCN1)OCO2.
What is the InChIKey of 1-(2-piperidin-2-ylethyl)-[1,3]dioxolo[4,5-f]benzotriazole?
The InChIKey is KMODXKGTRSNEGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-2-5-15-10(3-1)4-6-18-12-8-14-13(19-9-20-14)7-11(12)16-17-18/h7-8,10,15H,1-6,9H2.
What are the key properties of 1-(2-piperidin-2-ylethyl)-[1,3]dioxolo[4,5-f]benzotriazole?
1-(2-piperidin-2-ylethyl)-[1,3]dioxolo[4,5-f]benzotriazole has a molecular weight of 274.32 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-piperidin-2-ylethyl)-[1,3]dioxolo[4,5-f]benzotriazole is sourced from PubChem (CID 82147344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).