1-[(2-phenyl-1,2,4-triazol-3-yl)methyl]-4-piperidin-4-ylpiperazine

C18H26N6 — CID 167853339

IUPAC1-[(2-phenyl-1,2,4-triazol-3-yl)methyl]-4-piperidin-4-ylpiperazine
SMILESc1ccc(-n2ncnc2CN2CCN(C3CCNCC3)CC2)cc1
InChIInChI=1S/C18H26N6/c1-2-4-17(5-3-1)24-18(20-15-21-24)14-22-10-12-23(13-11-22)16-6-8-19-9-7-16/h1-5,15-16,19H,6-14H2
InChIKeyKEOXFJXAGMSQPO-UHFFFAOYSA-N
MW326.45 g/mol
LogP1.14
Rot. Bonds4

About 1-[(2-phenyl-1,2,4-triazol-3-yl)methyl]-4-piperidin-4-ylpiperazine

1-[(2-phenyl-1,2,4-triazol-3-yl)methyl]-4-piperidin-4-ylpiperazine (PubChem CID 167853339) has the molecular formula C18H26N6 and a molecular weight of 326.45 g/mol. Its IUPAC name is 1-[(2-phenyl-1,2,4-triazol-3-yl)methyl]-4-piperidin-4-ylpiperazine.

Molecular Properties

Compound Name1-[(2-phenyl-1,2,4-triazol-3-yl)methyl]-4-piperidin-4-ylpiperazine
PubChem CID167853339
Molecular FormulaC18H26N6
Molecular Weight326.45 g/mol
Exact Mass326.22
IUPAC Name1-[(2-phenyl-1,2,4-triazol-3-yl)methyl]-4-piperidin-4-ylpiperazine
SMILESc1ccc(-n2ncnc2CN2CCN(C3CCNCC3)CC2)cc1
InChIInChI=1S/C18H26N6/c1-2-4-17(5-3-1)24-18(20-15-21-24)14-22-10-12-23(13-11-22)16-6-8-19-9-7-16/h1-5,15-16,19H,6-14H2
InChIKeyKEOXFJXAGMSQPO-UHFFFAOYSA-N
XLogP1.14
TPSA49.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.45
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[(2-phenyl-1,2,4-triazol-3-yl)methyl]-4-piperidin-4-ylpiperazine 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

4-(hydroxymethyl)-1-[(2-phenyl-1,2,4-triazol-3-yl)methyl]piperidin-4-ol
CID 166243082
(3R,4R)-3-imidazol-1-yl-4-methyl-1-[(2-phenyl-1,2,4-triazol-3-yl)methyl]piperidine
CID 124874625
1-phenyl-6-(4-piperidin-4-ylpiperazin-1-yl)indazole
CID 123982141
1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazine
CID 99954441
1-[1-[(2-phenylpyrazol-3-yl)methyl]pyrrolidin-3-yl]piperazine
CID 120967885
methyl (2R)-6-[(2-phenyl-1,2,4-triazol-3-yl)methyl]-6-azaspiro[2.5]octane-2-carboxylate
CID 124874462
1-benzyl-4-cyclopropylpiperazine
CID 69195043
2-methyl-6-[(2S)-1-[(2-phenyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]pyridine
CID 124874423
2-(2-phenyl-1,2,4-triazol-3-yl)ethanamine
CID 84661566
1-(1-phenylpiperidin-4-yl)piperazine
CID 2737157
1-phenyl-5-propyl-1,2,4-triazole
CID 130383396
1-ethyl-4-[[2-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methyl]piperazine
CID 131920834

Frequently Asked Questions

What is the IUPAC name of 1-[(2-phenyl-1,2,4-triazol-3-yl)methyl]-4-piperidin-4-ylpiperazine?
The IUPAC name of 1-[(2-phenyl-1,2,4-triazol-3-yl)methyl]-4-piperidin-4-ylpiperazine (CID 167853339) is 1-[(2-phenyl-1,2,4-triazol-3-yl)methyl]-4-piperidin-4-ylpiperazine.
What is the SMILES notation for 1-[(2-phenyl-1,2,4-triazol-3-yl)methyl]-4-piperidin-4-ylpiperazine?
The canonical SMILES for 1-[(2-phenyl-1,2,4-triazol-3-yl)methyl]-4-piperidin-4-ylpiperazine is c1ccc(-n2ncnc2CN2CCN(C3CCNCC3)CC2)cc1.
What is the InChIKey of 1-[(2-phenyl-1,2,4-triazol-3-yl)methyl]-4-piperidin-4-ylpiperazine?
The InChIKey is KEOXFJXAGMSQPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6/c1-2-4-17(5-3-1)24-18(20-15-21-24)14-22-10-12-23(13-11-22)16-6-8-19-9-7-16/h1-5,15-16,19H,6-14H2.
What are the key properties of 1-[(2-phenyl-1,2,4-triazol-3-yl)methyl]-4-piperidin-4-ylpiperazine?
1-[(2-phenyl-1,2,4-triazol-3-yl)methyl]-4-piperidin-4-ylpiperazine has a molecular weight of 326.45 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-phenyl-1,2,4-triazol-3-yl)methyl]-4-piperidin-4-ylpiperazine is sourced from PubChem (CID 167853339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).