1-[[3-(3-propan-2-ylphenyl)triazol-4-yl]methyl]piperazine

C16H23N5 — CID 56772155

IUPAC1-[[3-(3-propan-2-ylphenyl)triazol-4-yl]methyl]piperazine
SMILESCC(C)c1cccc(-n2nncc2CN2CCNCC2)c1
InChIInChI=1S/C16H23N5/c1-13(2)14-4-3-5-15(10-14)21-16(11-18-19-21)12-20-8-6-17-7-9-20/h3-5,10-11,13,17H,6-9,12H2,1-2H3
InChIKeyDWTQTSPHPFCJIE-UHFFFAOYSA-N
MW285.40 g/mol
LogP1.80
Rot. Bonds4

About 1-[[3-(3-propan-2-ylphenyl)triazol-4-yl]methyl]piperazine

1-[[3-(3-propan-2-ylphenyl)triazol-4-yl]methyl]piperazine (PubChem CID 56772155) has the molecular formula C16H23N5 and a molecular weight of 285.40 g/mol. Its IUPAC name is 1-[[3-(3-propan-2-ylphenyl)triazol-4-yl]methyl]piperazine.

Molecular Properties

Compound Name1-[[3-(3-propan-2-ylphenyl)triazol-4-yl]methyl]piperazine
PubChem CID56772155
Molecular FormulaC16H23N5
Molecular Weight285.40 g/mol
Exact Mass285.20
IUPAC Name1-[[3-(3-propan-2-ylphenyl)triazol-4-yl]methyl]piperazine
SMILESCC(C)c1cccc(-n2nncc2CN2CCNCC2)c1
InChIInChI=1S/C16H23N5/c1-13(2)14-4-3-5-15(10-14)21-16(11-18-19-21)12-20-8-6-17-7-9-20/h3-5,10-11,13,17H,6-9,12H2,1-2H3
InChIKeyDWTQTSPHPFCJIE-UHFFFAOYSA-N
XLogP1.80
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.40
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(chloromethyl)-1-(3-propan-2-ylphenyl)triazole
CID 56772051
1-[[3-(3,4-dimethylphenyl)triazol-4-yl]methyl]-1,4-diazepane
CID 56772203
1-[[3-(4-fluoro-3-methylphenyl)triazol-4-yl]methyl]-1,4-diazepane
CID 56772247
1-[[3-(3-fluoro-4-methylphenyl)triazol-4-yl]methyl]-1,4-diazepane
CID 56772245
tert-butyl N-[[3-(3-propan-2-ylphenyl)triazol-4-yl]methyl]carbamate
CID 118124561
2-methyl-3-(piperazin-1-ylmethyl)-5-propan-2-yl-1H-indole
CID 95433688
1-[(1R)-2-fluoro-1-(3-propan-2-ylphenyl)ethyl]piperazine
CID 171182716
1-[(5-propan-2-yl-2-pyridinyl)methyl]piperazine
CID 138459736
2-piperazin-1-yl-N-(3-propan-2-ylphenyl)acetamide
CID 29009163
1-methyl-4-(3-propan-2-ylphenyl)tetrazol-5-one
CID 123192403
7-methyl-2-(piperazin-1-ylmethyl)-1-propan-2-ylindole
CID 117186562
1-[(1R)-3,3-difluoro-1-(3-propan-2-ylphenyl)propyl]piperazine
CID 171177597

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(3-propan-2-ylphenyl)triazol-4-yl]methyl]piperazine?
The IUPAC name of 1-[[3-(3-propan-2-ylphenyl)triazol-4-yl]methyl]piperazine (CID 56772155) is 1-[[3-(3-propan-2-ylphenyl)triazol-4-yl]methyl]piperazine.
What is the SMILES notation for 1-[[3-(3-propan-2-ylphenyl)triazol-4-yl]methyl]piperazine?
The canonical SMILES for 1-[[3-(3-propan-2-ylphenyl)triazol-4-yl]methyl]piperazine is CC(C)c1cccc(-n2nncc2CN2CCNCC2)c1.
What is the InChIKey of 1-[[3-(3-propan-2-ylphenyl)triazol-4-yl]methyl]piperazine?
The InChIKey is DWTQTSPHPFCJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-13(2)14-4-3-5-15(10-14)21-16(11-18-19-21)12-20-8-6-17-7-9-20/h3-5,10-11,13,17H,6-9,12H2,1-2H3.
What are the key properties of 1-[[3-(3-propan-2-ylphenyl)triazol-4-yl]methyl]piperazine?
1-[[3-(3-propan-2-ylphenyl)triazol-4-yl]methyl]piperazine has a molecular weight of 285.40 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(3-propan-2-ylphenyl)triazol-4-yl]methyl]piperazine is sourced from PubChem (CID 56772155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).