1-[(1-tert-butyltriazol-4-yl)methyl]-2-(4-ethylphenyl)piperazine

C19H29N5 — CID 120846597

IUPAC1-[(1-tert-butyltriazol-4-yl)methyl]-2-(4-ethylphenyl)piperazine
SMILESCCc1ccc(C2CNCCN2Cc2cn(C(C)(C)C)nn2)cc1
InChIInChI=1S/C19H29N5/c1-5-15-6-8-16(9-7-15)18-12-20-10-11-23(18)13-17-14-24(22-21-17)19(2,3)4/h6-9,14,18,20H,5,10-13H2,1-4H3
InChIKeyKLYBJZRVNFFMFF-UHFFFAOYSA-N
MW327.48 g/mol
LogP2.74
Rot. Bonds4

About 1-[(1-tert-butyltriazol-4-yl)methyl]-2-(4-ethylphenyl)piperazine

1-[(1-tert-butyltriazol-4-yl)methyl]-2-(4-ethylphenyl)piperazine (PubChem CID 120846597) has the molecular formula C19H29N5 and a molecular weight of 327.48 g/mol. Its IUPAC name is 1-[(1-tert-butyltriazol-4-yl)methyl]-2-(4-ethylphenyl)piperazine.

Molecular Properties

Compound Name1-[(1-tert-butyltriazol-4-yl)methyl]-2-(4-ethylphenyl)piperazine
PubChem CID120846597
Molecular FormulaC19H29N5
Molecular Weight327.48 g/mol
Exact Mass327.24
IUPAC Name1-[(1-tert-butyltriazol-4-yl)methyl]-2-(4-ethylphenyl)piperazine
SMILESCCc1ccc(C2CNCCN2Cc2cn(C(C)(C)C)nn2)cc1
InChIInChI=1S/C19H29N5/c1-5-15-6-8-16(9-7-15)18-12-20-10-11-23(18)13-17-14-24(22-21-17)19(2,3)4/h6-9,14,18,20H,5,10-13H2,1-4H3
InChIKeyKLYBJZRVNFFMFF-UHFFFAOYSA-N
XLogP2.74
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.48
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-5-methylpyrazine;dihydrochloride
CID 120758162
3-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole;hydrochloride
CID 120758108
4-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]benzamide;hydrochloride
CID 120758148
2-(4-ethylphenyl)-1-[(2-methylpyrazol-3-yl)methyl]piperazine
CID 120769132
2-(4-ethylphenyl)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazine;hydrochloride
CID 120769087
3-tert-butyl-5-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole;hydrochloride
CID 120758116
5-tert-butyl-3-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole;hydrochloride
CID 120758056
2-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-1,3-thiazole;hydrochloride
CID 120769103
2-(4-ethylphenyl)-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperazine
CID 120769026
2-(4-ethylphenyl)-1-[(1-phenyltetrazol-5-yl)methyl]piperazine;hydrochloride
CID 120758112
5-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-4-methyl-1,3-thiazole
CID 120769012
1-[(1-tert-butylpyrazol-4-yl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
CID 120910252

Frequently Asked Questions

What is the IUPAC name of 1-[(1-tert-butyltriazol-4-yl)methyl]-2-(4-ethylphenyl)piperazine?
The IUPAC name of 1-[(1-tert-butyltriazol-4-yl)methyl]-2-(4-ethylphenyl)piperazine (CID 120846597) is 1-[(1-tert-butyltriazol-4-yl)methyl]-2-(4-ethylphenyl)piperazine.
What is the SMILES notation for 1-[(1-tert-butyltriazol-4-yl)methyl]-2-(4-ethylphenyl)piperazine?
The canonical SMILES for 1-[(1-tert-butyltriazol-4-yl)methyl]-2-(4-ethylphenyl)piperazine is CCc1ccc(C2CNCCN2Cc2cn(C(C)(C)C)nn2)cc1.
What is the InChIKey of 1-[(1-tert-butyltriazol-4-yl)methyl]-2-(4-ethylphenyl)piperazine?
The InChIKey is KLYBJZRVNFFMFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5/c1-5-15-6-8-16(9-7-15)18-12-20-10-11-23(18)13-17-14-24(22-21-17)19(2,3)4/h6-9,14,18,20H,5,10-13H2,1-4H3.
What are the key properties of 1-[(1-tert-butyltriazol-4-yl)methyl]-2-(4-ethylphenyl)piperazine?
1-[(1-tert-butyltriazol-4-yl)methyl]-2-(4-ethylphenyl)piperazine has a molecular weight of 327.48 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-tert-butyltriazol-4-yl)methyl]-2-(4-ethylphenyl)piperazine is sourced from PubChem (CID 120846597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).