1-methyl-4-[2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethyl]piperazine

C15H30N4 — CID 82892557

IUPAC1-methyl-4-[2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethyl]piperazine
SMILESCN1CCN(CCN2CCCC2C2CCCN2)CC1
InChIInChI=1S/C15H30N4/c1-17-8-10-18(11-9-17)12-13-19-7-3-5-15(19)14-4-2-6-16-14/h14-16H,2-13H2,1H3
InChIKeyAIHPSTBHCIUDDC-UHFFFAOYSA-N
MW266.43 g/mol
LogP0.45
Rot. Bonds4

About 1-methyl-4-[2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethyl]piperazine

1-methyl-4-[2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethyl]piperazine (PubChem CID 82892557) has the molecular formula C15H30N4 and a molecular weight of 266.43 g/mol. Its IUPAC name is 1-methyl-4-[2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethyl]piperazine
PubChem CID82892557
Molecular FormulaC15H30N4
Molecular Weight266.43 g/mol
Exact Mass266.25
IUPAC Name1-methyl-4-[2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethyl]piperazine
SMILESCN1CCN(CCN2CCCC2C2CCCN2)CC1
InChIInChI=1S/C15H30N4/c1-17-8-10-18(11-9-17)12-13-19-7-3-5-15(19)14-4-2-6-16-14/h14-16H,2-13H2,1H3
InChIKeyAIHPSTBHCIUDDC-UHFFFAOYSA-N
XLogP0.45
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethyl]piperazine?
The IUPAC name of 1-methyl-4-[2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethyl]piperazine (CID 82892557) is 1-methyl-4-[2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethyl]piperazine.
What is the SMILES notation for 1-methyl-4-[2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethyl]piperazine?
The canonical SMILES for 1-methyl-4-[2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethyl]piperazine is CN1CCN(CCN2CCCC2C2CCCN2)CC1.
What is the InChIKey of 1-methyl-4-[2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethyl]piperazine?
The InChIKey is AIHPSTBHCIUDDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4/c1-17-8-10-18(11-9-17)12-13-19-7-3-5-15(19)14-4-2-6-16-14/h14-16H,2-13H2,1H3.
What are the key properties of 1-methyl-4-[2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethyl]piperazine?
1-methyl-4-[2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethyl]piperazine has a molecular weight of 266.43 g/mol, XLogP of 0.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethyl]piperazine is sourced from PubChem (CID 82892557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).