1-[2-(4-methylpiperidin-1-yl)ethyl]benzotriazole

C14H20N4 — CID 22989594

IUPAC1-[2-(4-methylpiperidin-1-yl)ethyl]benzotriazole
SMILESCC1CCN(CCn2nnc3ccccc32)CC1
InChIInChI=1S/C14H20N4/c1-12-6-8-17(9-7-12)10-11-18-14-5-3-2-4-13(14)15-16-18/h2-5,12H,6-11H2,1H3
InChIKeyPOKWXQWTDCIPKL-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.16
Rot. Bonds3

About 1-[2-(4-methylpiperidin-1-yl)ethyl]benzotriazole

1-[2-(4-methylpiperidin-1-yl)ethyl]benzotriazole (PubChem CID 22989594) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 1-[2-(4-methylpiperidin-1-yl)ethyl]benzotriazole.

Molecular Properties

Compound Name1-[2-(4-methylpiperidin-1-yl)ethyl]benzotriazole
PubChem CID22989594
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name1-[2-(4-methylpiperidin-1-yl)ethyl]benzotriazole
SMILESCC1CCN(CCn2nnc3ccccc32)CC1
InChIInChI=1S/C14H20N4/c1-12-6-8-17(9-7-12)10-11-18-14-5-3-2-4-13(14)15-16-18/h2-5,12H,6-11H2,1H3
InChIKeyPOKWXQWTDCIPKL-UHFFFAOYSA-N
XLogP2.16
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[2-(4-methylpiperidin-1-yl)ethyl]benzotriazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[4-(trifluoromethyl)piperidin-1-yl]butyl]benzotriazole
CID 174721135
1-[3-[4-(methoxymethyl)piperidin-1-yl]propyl]benzotriazole
CID 22989612
4-(benzotriazol-1-ylmethyl)-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 17469934
1-[6-(benzotriazol-1-yl)hexyl]benzotriazole
CID 3740271
1-(2-methylsulfanylethyl)benzotriazole
CID 131018915
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate
CID 23737677
1-methyl-2-[(4-methylpiperidin-1-yl)methyl]benzimidazole
CID 6491167
1-[[4-(benzotriazol-1-ylmethyl)piperazine-1,4-diium-1-yl]methyl]benzotriazole
CID 5080622
1-(pyrrolidin-1-ylmethyl)benzotriazole;hydrochloride
CID 73012311
1-tridecylbenzotriazole
CID 21059042
1-[2-(4-methylpiperidin-1-yl)ethyl]indole
CID 22989568
3-(benzotriazol-1-yl)propan-1-amine
CID 4220188

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylpiperidin-1-yl)ethyl]benzotriazole?
The IUPAC name of 1-[2-(4-methylpiperidin-1-yl)ethyl]benzotriazole (CID 22989594) is 1-[2-(4-methylpiperidin-1-yl)ethyl]benzotriazole.
What is the SMILES notation for 1-[2-(4-methylpiperidin-1-yl)ethyl]benzotriazole?
The canonical SMILES for 1-[2-(4-methylpiperidin-1-yl)ethyl]benzotriazole is CC1CCN(CCn2nnc3ccccc32)CC1.
What is the InChIKey of 1-[2-(4-methylpiperidin-1-yl)ethyl]benzotriazole?
The InChIKey is POKWXQWTDCIPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-12-6-8-17(9-7-12)10-11-18-14-5-3-2-4-13(14)15-16-18/h2-5,12H,6-11H2,1H3.
What are the key properties of 1-[2-(4-methylpiperidin-1-yl)ethyl]benzotriazole?
1-[2-(4-methylpiperidin-1-yl)ethyl]benzotriazole has a molecular weight of 244.34 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylpiperidin-1-yl)ethyl]benzotriazole is sourced from PubChem (CID 22989594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).