N-[[4-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-2,2,6,6-tetramethylpiperidin-4-amine

C18H26ClN5 — CID 122145371

IUPACN-[[4-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-2,2,6,6-tetramethylpiperidin-4-amine
SMILESCC1(C)CC(NCc2ccc(Cl)cc2-n2cncn2)CC(C)(C)N1
InChIInChI=1S/C18H26ClN5/c1-17(2)8-15(9-18(3,4)23-17)21-10-13-5-6-14(19)7-16(13)24-12-20-11-22-24/h5-7,11-12,15,21,23H,8-10H2,1-4H3
InChIKeyHAVJYOWQVSBCNE-UHFFFAOYSA-N
MW347.89 g/mol
LogP3.32
Rot. Bonds4

About N-[[4-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-2,2,6,6-tetramethylpiperidin-4-amine

N-[[4-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-2,2,6,6-tetramethylpiperidin-4-amine (PubChem CID 122145371) has the molecular formula C18H26ClN5 and a molecular weight of 347.89 g/mol. Its IUPAC name is N-[[4-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-2,2,6,6-tetramethylpiperidin-4-amine.

Molecular Properties

Compound NameN-[[4-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-2,2,6,6-tetramethylpiperidin-4-amine
PubChem CID122145371
Molecular FormulaC18H26ClN5
Molecular Weight347.89 g/mol
Exact Mass347.19
IUPAC NameN-[[4-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-2,2,6,6-tetramethylpiperidin-4-amine
SMILESCC1(C)CC(NCc2ccc(Cl)cc2-n2cncn2)CC(C)(C)N1
InChIInChI=1S/C18H26ClN5/c1-17(2)8-15(9-18(3,4)23-17)21-10-13-5-6-14(19)7-16(13)24-12-20-11-22-24/h5-7,11-12,15,21,23H,8-10H2,1-4H3
InChIKeyHAVJYOWQVSBCNE-UHFFFAOYSA-N
XLogP3.32
TPSA54.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.89
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[4-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-2,2,6,6-tetramethylpiperidin-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 N-[[4-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-2,2,6,6-tetramethylpiperidin-4-amine?
The IUPAC name of N-[[4-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-2,2,6,6-tetramethylpiperidin-4-amine (CID 122145371) is N-[[4-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-2,2,6,6-tetramethylpiperidin-4-amine.
What is the SMILES notation for N-[[4-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-2,2,6,6-tetramethylpiperidin-4-amine?
The canonical SMILES for N-[[4-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-2,2,6,6-tetramethylpiperidin-4-amine is CC1(C)CC(NCc2ccc(Cl)cc2-n2cncn2)CC(C)(C)N1.
What is the InChIKey of N-[[4-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-2,2,6,6-tetramethylpiperidin-4-amine?
The InChIKey is HAVJYOWQVSBCNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClN5/c1-17(2)8-15(9-18(3,4)23-17)21-10-13-5-6-14(19)7-16(13)24-12-20-11-22-24/h5-7,11-12,15,21,23H,8-10H2,1-4H3.
What are the key properties of N-[[4-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-2,2,6,6-tetramethylpiperidin-4-amine?
N-[[4-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-2,2,6,6-tetramethylpiperidin-4-amine has a molecular weight of 347.89 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-2,2,6,6-tetramethylpiperidin-4-amine is sourced from PubChem (CID 122145371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).