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

C17H35N3 — CID 82249272

IUPAC1-(2-piperidin-1-ylethyl)-2,5-di(propan-2-yl)piperazine
SMILESCC(C)C1CN(CCN2CCCCC2)C(C(C)C)CN1
InChIInChI=1S/C17H35N3/c1-14(2)16-13-20(17(12-18-16)15(3)4)11-10-19-8-6-5-7-9-19/h14-18H,5-13H2,1-4H3
InChIKeyVGYFFSBYFMULSK-UHFFFAOYSA-N
MW281.49 g/mol
LogP2.43
Rot. Bonds5

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

1-(2-piperidin-1-ylethyl)-2,5-di(propan-2-yl)piperazine (PubChem CID 82249272) has the molecular formula C17H35N3 and a molecular weight of 281.49 g/mol. Its IUPAC name is 1-(2-piperidin-1-ylethyl)-2,5-di(propan-2-yl)piperazine.

Molecular Properties

Compound Name1-(2-piperidin-1-ylethyl)-2,5-di(propan-2-yl)piperazine
PubChem CID82249272
Molecular FormulaC17H35N3
Molecular Weight281.49 g/mol
Exact Mass281.28
IUPAC Name1-(2-piperidin-1-ylethyl)-2,5-di(propan-2-yl)piperazine
SMILESCC(C)C1CN(CCN2CCCCC2)C(C(C)C)CN1
InChIInChI=1S/C17H35N3/c1-14(2)16-13-20(17(12-18-16)15(3)4)11-10-19-8-6-5-7-9-19/h14-18H,5-13H2,1-4H3
InChIKeyVGYFFSBYFMULSK-UHFFFAOYSA-N
XLogP2.43
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.49
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-piperidin-1-ylethyl)-2,5-di(propan-2-yl)piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-piperidin-1-ylethyl)-2,5-di(propan-2-yl)piperazine?
The IUPAC name of 1-(2-piperidin-1-ylethyl)-2,5-di(propan-2-yl)piperazine (CID 82249272) is 1-(2-piperidin-1-ylethyl)-2,5-di(propan-2-yl)piperazine.
What is the SMILES notation for 1-(2-piperidin-1-ylethyl)-2,5-di(propan-2-yl)piperazine?
The canonical SMILES for 1-(2-piperidin-1-ylethyl)-2,5-di(propan-2-yl)piperazine is CC(C)C1CN(CCN2CCCCC2)C(C(C)C)CN1.
What is the InChIKey of 1-(2-piperidin-1-ylethyl)-2,5-di(propan-2-yl)piperazine?
The InChIKey is VGYFFSBYFMULSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3/c1-14(2)16-13-20(17(12-18-16)15(3)4)11-10-19-8-6-5-7-9-19/h14-18H,5-13H2,1-4H3.
What are the key properties of 1-(2-piperidin-1-ylethyl)-2,5-di(propan-2-yl)piperazine?
1-(2-piperidin-1-ylethyl)-2,5-di(propan-2-yl)piperazine has a molecular weight of 281.49 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-piperidin-1-ylethyl)-2,5-di(propan-2-yl)piperazine is sourced from PubChem (CID 82249272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).