1-(2-piperidin-1-ylethoxy)benzotriazole

C13H18N4O — CID 99841206

IUPAC1-(2-piperidin-1-ylethoxy)benzotriazole
SMILESc1ccc2c(c1)nnn2OCCN1CCCCC1
InChIInChI=1S/C13H18N4O/c1-4-8-16(9-5-1)10-11-18-17-13-7-3-2-6-12(13)14-15-17/h2-3,6-7H,1,4-5,8-11H2
InChIKeyCYZCUAWVBSNYSJ-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.35
Rot. Bonds4

About 1-(2-piperidin-1-ylethoxy)benzotriazole

1-(2-piperidin-1-ylethoxy)benzotriazole (PubChem CID 99841206) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-(2-piperidin-1-ylethoxy)benzotriazole.

Molecular Properties

Compound Name1-(2-piperidin-1-ylethoxy)benzotriazole
PubChem CID99841206
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name1-(2-piperidin-1-ylethoxy)benzotriazole
SMILESc1ccc2c(c1)nnn2OCCN1CCCCC1
InChIInChI=1S/C13H18N4O/c1-4-8-16(9-5-1)10-11-18-17-13-7-3-2-6-12(13)14-15-17/h2-3,6-7H,1,4-5,8-11H2
InChIKeyCYZCUAWVBSNYSJ-UHFFFAOYSA-N
XLogP1.35
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Benzotriazol-1-yloxy-tris(dimethylamino)phosphonium
CID 124335
1-Piperidin-1-ylsulfonylbenzotriazole
CID 2216937
1H-1,2,3-benzotriazol-1-yl N,N-dimethylcarbamate
CID 3250344
(Benzotriazol-1-yloxy)dipiperidinocarbenium hexafluorophosphate
CID 10863473
N-(4-aminobutyl)-2-(benzotriazol-1-yloxy)acetamide;hydrochloride
CID 134137183
1H-benzotriazole, compound with morpholine(1:1)
CID 23134831
1-(4-morpholinylsulfonyl)-1H-1,2,3-benzotriazole
CID 973787
2-(Benzotriazol-2-yl)-1-morpholino-ethanone
CID 125492228
N-(4-aminobutyl)-N-(3-aminopropyl)-2-(benzotriazol-1-yloxy)acetamide;dihydrochloride
CID 134134296
N-(3-aminopropyl)-2-(benzotriazol-1-yloxy)acetamide;hydrochloride
CID 134150539
O-benzotriazol-1-yl-tetramethyluronium
CID 130500
1-[Piperidin-1-ium-1-ylidene(piperidin-1-yl)methoxy]benzotriazole
CID 4252043

Frequently Asked Questions

What is the IUPAC name of 1-(2-piperidin-1-ylethoxy)benzotriazole?
The IUPAC name of 1-(2-piperidin-1-ylethoxy)benzotriazole (CID 99841206) is 1-(2-piperidin-1-ylethoxy)benzotriazole.
What is the SMILES notation for 1-(2-piperidin-1-ylethoxy)benzotriazole?
The canonical SMILES for 1-(2-piperidin-1-ylethoxy)benzotriazole is c1ccc2c(c1)nnn2OCCN1CCCCC1.
What is the InChIKey of 1-(2-piperidin-1-ylethoxy)benzotriazole?
The InChIKey is CYZCUAWVBSNYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-4-8-16(9-5-1)10-11-18-17-13-7-3-2-6-12(13)14-15-17/h2-3,6-7H,1,4-5,8-11H2.
What are the key properties of 1-(2-piperidin-1-ylethoxy)benzotriazole?
1-(2-piperidin-1-ylethoxy)benzotriazole has a molecular weight of 246.31 g/mol, XLogP of 1.35, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-piperidin-1-ylethoxy)benzotriazole is sourced from PubChem (CID 99841206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).