2-tert-butyl-1-[2-(1-methylpyrazol-4-yl)ethyl]-5-propylpiperazine

C17H32N4 — CID 103016292

IUPAC2-tert-butyl-1-[2-(1-methylpyrazol-4-yl)ethyl]-5-propylpiperazine
SMILESCCCC1CN(CCc2cnn(C)c2)C(C(C)(C)C)CN1
InChIInChI=1S/C17H32N4/c1-6-7-15-13-21(16(11-18-15)17(2,3)4)9-8-14-10-19-20(5)12-14/h10,12,15-16,18H,6-9,11,13H2,1-5H3
InChIKeyKKLXQPRIDDKPHH-UHFFFAOYSA-N
MW292.47 g/mol
LogP2.45
Rot. Bonds5

About 2-tert-butyl-1-[2-(1-methylpyrazol-4-yl)ethyl]-5-propylpiperazine

2-tert-butyl-1-[2-(1-methylpyrazol-4-yl)ethyl]-5-propylpiperazine (PubChem CID 103016292) has the molecular formula C17H32N4 and a molecular weight of 292.47 g/mol. Its IUPAC name is 2-tert-butyl-1-[2-(1-methylpyrazol-4-yl)ethyl]-5-propylpiperazine.

Molecular Properties

Compound Name2-tert-butyl-1-[2-(1-methylpyrazol-4-yl)ethyl]-5-propylpiperazine
PubChem CID103016292
Molecular FormulaC17H32N4
Molecular Weight292.47 g/mol
Exact Mass292.26
IUPAC Name2-tert-butyl-1-[2-(1-methylpyrazol-4-yl)ethyl]-5-propylpiperazine
SMILESCCCC1CN(CCc2cnn(C)c2)C(C(C)(C)C)CN1
InChIInChI=1S/C17H32N4/c1-6-7-15-13-21(16(11-18-15)17(2,3)4)9-8-14-10-19-20(5)12-14/h10,12,15-16,18H,6-9,11,13H2,1-5H3
InChIKeyKKLXQPRIDDKPHH-UHFFFAOYSA-N
XLogP2.45
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-tert-butyl-5-ethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine
CID 64842153
5-tert-butyl-1-[(1-methylpyrazol-4-yl)methyl]-2-propylpiperazine
CID 64843375
1-[2-(1-methylpyrazol-4-yl)ethyl]-3-propyl-1,4-diazepane
CID 103016702
2-tert-butyl-1-(4-methylpentyl)-5-propylpiperazine
CID 83169601
2-tert-butyl-1-(2-propan-2-yloxyethyl)-5-propylpiperazine
CID 64838014
3-tert-butyl-7-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]-1,4-diazepane
CID 103016752
5-[(2-tert-butyl-5-propylpiperazin-1-yl)methyl]-1,3-thiazole
CID 112644846
5-(2-methylpropyl)-1-[2-(1-methylpyrazol-4-yl)ethyl]-2-propan-2-ylpiperazine
CID 103016459
5-methyl-2-[2-(1-methylpyrazol-4-yl)ethyl]piperidine
CID 106781800
2-tert-butyl-1-[(6-methyl-2-pyridinyl)methyl]-5-propylpiperazine
CID 79263883
2-ethyl-1-[(1-ethylpyrazol-4-yl)methyl]-5-propylpiperazine
CID 64846772
2-tert-butyl-5,5-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine
CID 64840094

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-[2-(1-methylpyrazol-4-yl)ethyl]-5-propylpiperazine?
The IUPAC name of 2-tert-butyl-1-[2-(1-methylpyrazol-4-yl)ethyl]-5-propylpiperazine (CID 103016292) is 2-tert-butyl-1-[2-(1-methylpyrazol-4-yl)ethyl]-5-propylpiperazine.
What is the SMILES notation for 2-tert-butyl-1-[2-(1-methylpyrazol-4-yl)ethyl]-5-propylpiperazine?
The canonical SMILES for 2-tert-butyl-1-[2-(1-methylpyrazol-4-yl)ethyl]-5-propylpiperazine is CCCC1CN(CCc2cnn(C)c2)C(C(C)(C)C)CN1.
What is the InChIKey of 2-tert-butyl-1-[2-(1-methylpyrazol-4-yl)ethyl]-5-propylpiperazine?
The InChIKey is KKLXQPRIDDKPHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4/c1-6-7-15-13-21(16(11-18-15)17(2,3)4)9-8-14-10-19-20(5)12-14/h10,12,15-16,18H,6-9,11,13H2,1-5H3.
What are the key properties of 2-tert-butyl-1-[2-(1-methylpyrazol-4-yl)ethyl]-5-propylpiperazine?
2-tert-butyl-1-[2-(1-methylpyrazol-4-yl)ethyl]-5-propylpiperazine has a molecular weight of 292.47 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-[2-(1-methylpyrazol-4-yl)ethyl]-5-propylpiperazine is sourced from PubChem (CID 103016292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).