1-(1-propan-2-ylpiperidin-4-yl)benzotriazole

C14H20N4 — CID 2823242

IUPAC1-(1-propan-2-ylpiperidin-4-yl)benzotriazole
SMILESCC(C)N1CCC(n2nnc3ccccc32)CC1
InChIInChI=1S/C14H20N4/c1-11(2)17-9-7-12(8-10-17)18-14-6-4-3-5-13(14)15-16-18/h3-6,11-12H,7-10H2,1-2H3
InChIKeyDBRPJAOBTIGJHY-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.48
Rot. Bonds2

About 1-(1-propan-2-ylpiperidin-4-yl)benzotriazole

1-(1-propan-2-ylpiperidin-4-yl)benzotriazole (PubChem CID 2823242) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 1-(1-propan-2-ylpiperidin-4-yl)benzotriazole.

Molecular Properties

Compound Name1-(1-propan-2-ylpiperidin-4-yl)benzotriazole
PubChem CID2823242
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name1-(1-propan-2-ylpiperidin-4-yl)benzotriazole
SMILESCC(C)N1CCC(n2nnc3ccccc32)CC1
InChIInChI=1S/C14H20N4/c1-11(2)17-9-7-12(8-10-17)18-14-6-4-3-5-13(14)15-16-18/h3-6,11-12H,7-10H2,1-2H3
InChIKeyDBRPJAOBTIGJHY-UHFFFAOYSA-N
XLogP2.48
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-propan-2-ylpiperidin-4-yl)benzotriazole?
The IUPAC name of 1-(1-propan-2-ylpiperidin-4-yl)benzotriazole (CID 2823242) is 1-(1-propan-2-ylpiperidin-4-yl)benzotriazole.
What is the SMILES notation for 1-(1-propan-2-ylpiperidin-4-yl)benzotriazole?
The canonical SMILES for 1-(1-propan-2-ylpiperidin-4-yl)benzotriazole is CC(C)N1CCC(n2nnc3ccccc32)CC1.
What is the InChIKey of 1-(1-propan-2-ylpiperidin-4-yl)benzotriazole?
The InChIKey is DBRPJAOBTIGJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-11(2)17-9-7-12(8-10-17)18-14-6-4-3-5-13(14)15-16-18/h3-6,11-12H,7-10H2,1-2H3.
What are the key properties of 1-(1-propan-2-ylpiperidin-4-yl)benzotriazole?
1-(1-propan-2-ylpiperidin-4-yl)benzotriazole has a molecular weight of 244.34 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-propan-2-ylpiperidin-4-yl)benzotriazole is sourced from PubChem (CID 2823242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).