3-(2-methylpropyl)-1-[2-(2-methylpyrazol-3-yl)ethyl]piperazine

C14H26N4 — CID 103016164

IUPAC3-(2-methylpropyl)-1-[2-(2-methylpyrazol-3-yl)ethyl]piperazine
SMILESCC(C)CC1CN(CCc2ccnn2C)CCN1
InChIInChI=1S/C14H26N4/c1-12(2)10-13-11-18(9-7-15-13)8-5-14-4-6-16-17(14)3/h4,6,12-13,15H,5,7-11H2,1-3H3
InChIKeyFLHAMLLMVHRGPK-UHFFFAOYSA-N
MW250.39 g/mol
LogP1.28
Rot. Bonds5

About 3-(2-methylpropyl)-1-[2-(2-methylpyrazol-3-yl)ethyl]piperazine

3-(2-methylpropyl)-1-[2-(2-methylpyrazol-3-yl)ethyl]piperazine (PubChem CID 103016164) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 3-(2-methylpropyl)-1-[2-(2-methylpyrazol-3-yl)ethyl]piperazine.

Molecular Properties

Compound Name3-(2-methylpropyl)-1-[2-(2-methylpyrazol-3-yl)ethyl]piperazine
PubChem CID103016164
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name3-(2-methylpropyl)-1-[2-(2-methylpyrazol-3-yl)ethyl]piperazine
SMILESCC(C)CC1CN(CCc2ccnn2C)CCN1
InChIInChI=1S/C14H26N4/c1-12(2)10-13-11-18(9-7-15-13)8-5-14-4-6-16-17(14)3/h4,6,12-13,15H,5,7-11H2,1-3H3
InChIKeyFLHAMLLMVHRGPK-UHFFFAOYSA-N
XLogP1.28
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-methylpyrazol-3-yl)ethyl]piperazine
CID 82606001
1-(2-fluoroethyl)-3-(2-methylpropyl)piperazine
CID 80695147
1-hexyl-3-(2-methylpropyl)piperazine
CID 64834623
2-[[3-(2-methylpropyl)piperazin-1-yl]methyl]pyrimidine
CID 64834432
1-[2-[3-(2-methylpropyl)piperazin-1-yl]ethyl]pyridin-2-one
CID 82907814
4-(2-methylpropyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]-1,3-thiazolidin-2-imine
CID 136993116
1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-3-amine
CID 102999239
1-[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-4-yl]ethanamine
CID 102999214
2-[2-(2-methylpyrazol-3-yl)ethyl]azepane
CID 103015057
4-chloro-3-methyl-1-[2-(2-methylpyrazol-3-yl)ethyl]piperidine
CID 103015382
3-(bromomethyl)-1-[2-(2-methylpyrazol-3-yl)ethyl]piperidine
CID 103015263
1-[2-(2-fluorophenyl)ethyl]-3-(2-methylpropyl)-1,4-diazepane
CID 64942508

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)-1-[2-(2-methylpyrazol-3-yl)ethyl]piperazine?
The IUPAC name of 3-(2-methylpropyl)-1-[2-(2-methylpyrazol-3-yl)ethyl]piperazine (CID 103016164) is 3-(2-methylpropyl)-1-[2-(2-methylpyrazol-3-yl)ethyl]piperazine.
What is the SMILES notation for 3-(2-methylpropyl)-1-[2-(2-methylpyrazol-3-yl)ethyl]piperazine?
The canonical SMILES for 3-(2-methylpropyl)-1-[2-(2-methylpyrazol-3-yl)ethyl]piperazine is CC(C)CC1CN(CCc2ccnn2C)CCN1.
What is the InChIKey of 3-(2-methylpropyl)-1-[2-(2-methylpyrazol-3-yl)ethyl]piperazine?
The InChIKey is FLHAMLLMVHRGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-12(2)10-13-11-18(9-7-15-13)8-5-14-4-6-16-17(14)3/h4,6,12-13,15H,5,7-11H2,1-3H3.
What are the key properties of 3-(2-methylpropyl)-1-[2-(2-methylpyrazol-3-yl)ethyl]piperazine?
3-(2-methylpropyl)-1-[2-(2-methylpyrazol-3-yl)ethyl]piperazine has a molecular weight of 250.39 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-1-[2-(2-methylpyrazol-3-yl)ethyl]piperazine is sourced from PubChem (CID 103016164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).