1-(1-piperidin-1-ylpropan-2-yl)benzotriazole-4-carboxylic acid

C15H20N4O2 — CID 115541776

IUPAC1-(1-piperidin-1-ylpropan-2-yl)benzotriazole-4-carboxylic acid
SMILESCC(CN1CCCCC1)n1nnc2c(C(=O)O)cccc21
InChIInChI=1S/C15H20N4O2/c1-11(10-18-8-3-2-4-9-18)19-13-7-5-6-12(15(20)21)14(13)16-17-19/h5-7,11H,2-4,8-10H2,1H3,(H,20,21)
InChIKeyOVHSBFKGXIXLLB-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.18
Rot. Bonds4

About 1-(1-piperidin-1-ylpropan-2-yl)benzotriazole-4-carboxylic acid

1-(1-piperidin-1-ylpropan-2-yl)benzotriazole-4-carboxylic acid (PubChem CID 115541776) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-(1-piperidin-1-ylpropan-2-yl)benzotriazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(1-piperidin-1-ylpropan-2-yl)benzotriazole-4-carboxylic acid
PubChem CID115541776
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name1-(1-piperidin-1-ylpropan-2-yl)benzotriazole-4-carboxylic acid
SMILESCC(CN1CCCCC1)n1nnc2c(C(=O)O)cccc21
InChIInChI=1S/C15H20N4O2/c1-11(10-18-8-3-2-4-9-18)19-13-7-5-6-12(15(20)21)14(13)16-17-19/h5-7,11H,2-4,8-10H2,1H3,(H,20,21)
InChIKeyOVHSBFKGXIXLLB-UHFFFAOYSA-N
XLogP2.18
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-propan-2-ylbenzotriazole-4-carboxylic acid
CID 83832712
1-(1-pyrrolidin-1-ylpropan-2-yl)benzimidazole-4-carboxylic acid
CID 115543263
1-(3-ethylpentan-2-yl)benzotriazole-4-carboxylic acid
CID 113331993
1-(3,3-dimethylbutan-2-yl)benzotriazole-4-carboxylic acid
CID 113457829
1-(1-cyclohexylpropyl)benzotriazole-4-carboxylic acid
CID 115541866
1-(2-methyl-3-pyrrolidin-1-ylpropyl)benzimidazole-4-carboxylic acid
CID 115543574
1-(1-thiophen-2-ylbutyl)benzotriazole-4-carboxylic acid
CID 115541794
1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]benzotriazole-4-carboxylic acid
CID 115541595
1-(2-methylcycloheptyl)benzotriazole-4-carboxylic acid
CID 115541950
1-chlorobenzotriazole-4-carboxylic acid
CID 19818323
1-hydroxybenzotriazole-4-carboxylic acid
CID 22610969
2-(1-pyrrolidin-1-ylpropan-2-ylamino)benzoic acid
CID 62232558

Frequently Asked Questions

What is the IUPAC name of 1-(1-piperidin-1-ylpropan-2-yl)benzotriazole-4-carboxylic acid?
The IUPAC name of 1-(1-piperidin-1-ylpropan-2-yl)benzotriazole-4-carboxylic acid (CID 115541776) is 1-(1-piperidin-1-ylpropan-2-yl)benzotriazole-4-carboxylic acid.
What is the SMILES notation for 1-(1-piperidin-1-ylpropan-2-yl)benzotriazole-4-carboxylic acid?
The canonical SMILES for 1-(1-piperidin-1-ylpropan-2-yl)benzotriazole-4-carboxylic acid is CC(CN1CCCCC1)n1nnc2c(C(=O)O)cccc21.
What is the InChIKey of 1-(1-piperidin-1-ylpropan-2-yl)benzotriazole-4-carboxylic acid?
The InChIKey is OVHSBFKGXIXLLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-11(10-18-8-3-2-4-9-18)19-13-7-5-6-12(15(20)21)14(13)16-17-19/h5-7,11H,2-4,8-10H2,1H3,(H,20,21).
What are the key properties of 1-(1-piperidin-1-ylpropan-2-yl)benzotriazole-4-carboxylic acid?
1-(1-piperidin-1-ylpropan-2-yl)benzotriazole-4-carboxylic acid has a molecular weight of 288.35 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-piperidin-1-ylpropan-2-yl)benzotriazole-4-carboxylic acid is sourced from PubChem (CID 115541776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).