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

C12H25N3 — CID 117271549

IUPAC1-methyl-4-[2-(2-methylpyrrolidin-2-yl)ethyl]piperazine
SMILESCN1CCN(CCC2(C)CCCN2)CC1
InChIInChI=1S/C12H25N3/c1-12(4-3-6-13-12)5-7-15-10-8-14(2)9-11-15/h13H,3-11H2,1-2H3
InChIKeyRDSBFSQISWOHAK-UHFFFAOYSA-N
MW211.35 g/mol
LogP0.77
Rot. Bonds3

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

1-methyl-4-[2-(2-methylpyrrolidin-2-yl)ethyl]piperazine (PubChem CID 117271549) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is 1-methyl-4-[2-(2-methylpyrrolidin-2-yl)ethyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[2-(2-methylpyrrolidin-2-yl)ethyl]piperazine
PubChem CID117271549
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC Name1-methyl-4-[2-(2-methylpyrrolidin-2-yl)ethyl]piperazine
SMILESCN1CCN(CCC2(C)CCCN2)CC1
InChIInChI=1S/C12H25N3/c1-12(4-3-6-13-12)5-7-15-10-8-14(2)9-11-15/h13H,3-11H2,1-2H3
InChIKeyRDSBFSQISWOHAK-UHFFFAOYSA-N
XLogP0.77
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[2-(2-methylpyrrolidin-2-yl)ethyl]piperazine?
The IUPAC name of 1-methyl-4-[2-(2-methylpyrrolidin-2-yl)ethyl]piperazine (CID 117271549) is 1-methyl-4-[2-(2-methylpyrrolidin-2-yl)ethyl]piperazine.
What is the SMILES notation for 1-methyl-4-[2-(2-methylpyrrolidin-2-yl)ethyl]piperazine?
The canonical SMILES for 1-methyl-4-[2-(2-methylpyrrolidin-2-yl)ethyl]piperazine is CN1CCN(CCC2(C)CCCN2)CC1.
What is the InChIKey of 1-methyl-4-[2-(2-methylpyrrolidin-2-yl)ethyl]piperazine?
The InChIKey is RDSBFSQISWOHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3/c1-12(4-3-6-13-12)5-7-15-10-8-14(2)9-11-15/h13H,3-11H2,1-2H3.
What are the key properties of 1-methyl-4-[2-(2-methylpyrrolidin-2-yl)ethyl]piperazine?
1-methyl-4-[2-(2-methylpyrrolidin-2-yl)ethyl]piperazine has a molecular weight of 211.35 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[2-(2-methylpyrrolidin-2-yl)ethyl]piperazine is sourced from PubChem (CID 117271549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).