2,5-di(propan-2-yl)-1-(2-pyridin-3-ylethyl)piperazine

C17H29N3 — CID 64937734

IUPAC2,5-di(propan-2-yl)-1-(2-pyridin-3-ylethyl)piperazine
SMILESCC(C)C1CN(CCc2cccnc2)C(C(C)C)CN1
InChIInChI=1S/C17H29N3/c1-13(2)16-12-20(17(11-19-16)14(3)4)9-7-15-6-5-8-18-10-15/h5-6,8,10,13-14,16-17,19H,7,9,11-12H2,1-4H3
InChIKeyPXNDAHNDNVTKNQ-UHFFFAOYSA-N
MW275.44 g/mol
LogP2.58
Rot. Bonds5

About 2,5-di(propan-2-yl)-1-(2-pyridin-3-ylethyl)piperazine

2,5-di(propan-2-yl)-1-(2-pyridin-3-ylethyl)piperazine (PubChem CID 64937734) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 2,5-di(propan-2-yl)-1-(2-pyridin-3-ylethyl)piperazine.

Molecular Properties

Compound Name2,5-di(propan-2-yl)-1-(2-pyridin-3-ylethyl)piperazine
PubChem CID64937734
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name2,5-di(propan-2-yl)-1-(2-pyridin-3-ylethyl)piperazine
SMILESCC(C)C1CN(CCc2cccnc2)C(C(C)C)CN1
InChIInChI=1S/C17H29N3/c1-13(2)16-12-20(17(11-19-16)14(3)4)9-7-15-6-5-8-18-10-15/h5-6,8,10,13-14,16-17,19H,7,9,11-12H2,1-4H3
InChIKeyPXNDAHNDNVTKNQ-UHFFFAOYSA-N
XLogP2.58
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,5-di(propan-2-yl)-1-(2-pyridin-3-ylethyl)piperazine 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

5-cyclopropyl-2-propan-2-yl-1-(2-pyridin-3-ylethyl)piperazine
CID 64933236
2-ethyl-5-propan-2-yl-1-(pyridin-3-ylmethyl)piperazine
CID 64831744
2,5-di(propan-2-yl)-1-pyridin-3-ylpiperazine
CID 64952663
1-[2-(2-fluorophenyl)ethyl]-2,5-di(propan-2-yl)piperazine
CID 64953673
2-methyl-1-(2-phenylethyl)-5-propan-2-ylpiperazine
CID 64833712
5-butan-2-yl-1-[2-(2-methylpyrazol-3-yl)ethyl]-2-propan-2-ylpiperazine
CID 103016484
5-butan-2-yl-2-propan-2-yl-1-pyridin-3-ylpiperazine
CID 64952069
5-tert-butyl-2-methyl-1-(2-pyridin-3-ylethyl)piperazine
CID 64934187
5-butan-2-yl-2-propan-2-yl-1-(pyridin-4-ylmethyl)piperazine
CID 64850164
3-propan-2-yl-1-(pyridin-3-ylmethyl)-1,4-diazepane
CID 64858405
5-ethyl-1-[2-(3-fluorophenyl)ethyl]-2-propan-2-ylpiperazine
CID 64934070
5-[[2,5-di(propan-2-yl)piperazin-1-yl]methyl]-1,2-oxazole
CID 114186794

Frequently Asked Questions

What is the IUPAC name of 2,5-di(propan-2-yl)-1-(2-pyridin-3-ylethyl)piperazine?
The IUPAC name of 2,5-di(propan-2-yl)-1-(2-pyridin-3-ylethyl)piperazine (CID 64937734) is 2,5-di(propan-2-yl)-1-(2-pyridin-3-ylethyl)piperazine.
What is the SMILES notation for 2,5-di(propan-2-yl)-1-(2-pyridin-3-ylethyl)piperazine?
The canonical SMILES for 2,5-di(propan-2-yl)-1-(2-pyridin-3-ylethyl)piperazine is CC(C)C1CN(CCc2cccnc2)C(C(C)C)CN1.
What is the InChIKey of 2,5-di(propan-2-yl)-1-(2-pyridin-3-ylethyl)piperazine?
The InChIKey is PXNDAHNDNVTKNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-13(2)16-12-20(17(11-19-16)14(3)4)9-7-15-6-5-8-18-10-15/h5-6,8,10,13-14,16-17,19H,7,9,11-12H2,1-4H3.
What are the key properties of 2,5-di(propan-2-yl)-1-(2-pyridin-3-ylethyl)piperazine?
2,5-di(propan-2-yl)-1-(2-pyridin-3-ylethyl)piperazine has a molecular weight of 275.44 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-di(propan-2-yl)-1-(2-pyridin-3-ylethyl)piperazine is sourced from PubChem (CID 64937734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).