1-[2-[1-[2-(4-chlorophenyl)ethyl]triazol-4-yl]ethyl]piperidin-4-amine

C17H24ClN5 — CID 166251328

IUPAC1-[2-[1-[2-(4-chlorophenyl)ethyl]triazol-4-yl]ethyl]piperidin-4-amine
SMILESNC1CCN(CCc2cn(CCc3ccc(Cl)cc3)nn2)CC1
InChIInChI=1S/C17H24ClN5/c18-15-3-1-14(2-4-15)5-12-23-13-17(20-21-23)8-11-22-9-6-16(19)7-10-22/h1-4,13,16H,5-12,19H2
InChIKeyGJWQNKGPXAPMEM-UHFFFAOYSA-N
MW333.87 g/mol
LogP2.14
Rot. Bonds6

About 1-[2-[1-[2-(4-chlorophenyl)ethyl]triazol-4-yl]ethyl]piperidin-4-amine

1-[2-[1-[2-(4-chlorophenyl)ethyl]triazol-4-yl]ethyl]piperidin-4-amine (PubChem CID 166251328) has the molecular formula C17H24ClN5 and a molecular weight of 333.87 g/mol. Its IUPAC name is 1-[2-[1-[2-(4-chlorophenyl)ethyl]triazol-4-yl]ethyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[2-[1-[2-(4-chlorophenyl)ethyl]triazol-4-yl]ethyl]piperidin-4-amine
PubChem CID166251328
Molecular FormulaC17H24ClN5
Molecular Weight333.87 g/mol
Exact Mass333.17
IUPAC Name1-[2-[1-[2-(4-chlorophenyl)ethyl]triazol-4-yl]ethyl]piperidin-4-amine
SMILESNC1CCN(CCc2cn(CCc3ccc(Cl)cc3)nn2)CC1
InChIInChI=1S/C17H24ClN5/c18-15-3-1-14(2-4-15)5-12-23-13-17(20-21-23)8-11-22-9-6-16(19)7-10-22/h1-4,13,16H,5-12,19H2
InChIKeyGJWQNKGPXAPMEM-UHFFFAOYSA-N
XLogP2.14
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.87
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-[1-[2-(4-chlorophenyl)ethyl]triazol-4-yl]ethyl]piperidin-4-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-[2-(4-chlorophenyl)ethyl]triazol-4-yl]ethyl]piperidin-4-amine?
The IUPAC name of 1-[2-[1-[2-(4-chlorophenyl)ethyl]triazol-4-yl]ethyl]piperidin-4-amine (CID 166251328) is 1-[2-[1-[2-(4-chlorophenyl)ethyl]triazol-4-yl]ethyl]piperidin-4-amine.
What is the SMILES notation for 1-[2-[1-[2-(4-chlorophenyl)ethyl]triazol-4-yl]ethyl]piperidin-4-amine?
The canonical SMILES for 1-[2-[1-[2-(4-chlorophenyl)ethyl]triazol-4-yl]ethyl]piperidin-4-amine is NC1CCN(CCc2cn(CCc3ccc(Cl)cc3)nn2)CC1.
What is the InChIKey of 1-[2-[1-[2-(4-chlorophenyl)ethyl]triazol-4-yl]ethyl]piperidin-4-amine?
The InChIKey is GJWQNKGPXAPMEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN5/c18-15-3-1-14(2-4-15)5-12-23-13-17(20-21-23)8-11-22-9-6-16(19)7-10-22/h1-4,13,16H,5-12,19H2.
What are the key properties of 1-[2-[1-[2-(4-chlorophenyl)ethyl]triazol-4-yl]ethyl]piperidin-4-amine?
1-[2-[1-[2-(4-chlorophenyl)ethyl]triazol-4-yl]ethyl]piperidin-4-amine has a molecular weight of 333.87 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-[2-(4-chlorophenyl)ethyl]triazol-4-yl]ethyl]piperidin-4-amine is sourced from PubChem (CID 166251328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).