1,3-dimethyl-5-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperazine

C15H32N4 — CID 129288939

IUPAC1,3-dimethyl-5-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperazine
SMILESCC1CN(C)CC(CCN2CCN(C(C)C)CC2)N1
InChIInChI=1S/C15H32N4/c1-13(2)19-9-7-18(8-10-19)6-5-15-12-17(4)11-14(3)16-15/h13-16H,5-12H2,1-4H3
InChIKeyPGILEGIRVZTKCB-UHFFFAOYSA-N
MW268.45 g/mol
LogP0.69
Rot. Bonds4

About 1,3-dimethyl-5-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperazine

1,3-dimethyl-5-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperazine (PubChem CID 129288939) has the molecular formula C15H32N4 and a molecular weight of 268.45 g/mol. Its IUPAC name is 1,3-dimethyl-5-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperazine.

Molecular Properties

Compound Name1,3-dimethyl-5-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperazine
PubChem CID129288939
Molecular FormulaC15H32N4
Molecular Weight268.45 g/mol
Exact Mass268.26
IUPAC Name1,3-dimethyl-5-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperazine
SMILESCC1CN(C)CC(CCN2CCN(C(C)C)CC2)N1
InChIInChI=1S/C15H32N4/c1-13(2)19-9-7-18(8-10-19)6-5-15-12-17(4)11-14(3)16-15/h13-16H,5-12H2,1-4H3
InChIKeyPGILEGIRVZTKCB-UHFFFAOYSA-N
XLogP0.69
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.45
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperazine?
The IUPAC name of 1,3-dimethyl-5-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperazine (CID 129288939) is 1,3-dimethyl-5-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperazine.
What is the SMILES notation for 1,3-dimethyl-5-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperazine?
The canonical SMILES for 1,3-dimethyl-5-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperazine is CC1CN(C)CC(CCN2CCN(C(C)C)CC2)N1.
What is the InChIKey of 1,3-dimethyl-5-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperazine?
The InChIKey is PGILEGIRVZTKCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N4/c1-13(2)19-9-7-18(8-10-19)6-5-15-12-17(4)11-14(3)16-15/h13-16H,5-12H2,1-4H3.
What are the key properties of 1,3-dimethyl-5-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperazine?
1,3-dimethyl-5-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperazine has a molecular weight of 268.45 g/mol, XLogP of 0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperazine is sourced from PubChem (CID 129288939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).