1,2,2-trimethyl-4-(4-methylpyrrolidin-3-yl)piperazine

C12H25N3 — CID 81459939

IUPAC1,2,2-trimethyl-4-(4-methylpyrrolidin-3-yl)piperazine
SMILESCC1CNCC1N1CCN(C)C(C)(C)C1
InChIInChI=1S/C12H25N3/c1-10-7-13-8-11(10)15-6-5-14(4)12(2,3)9-15/h10-11,13H,5-9H2,1-4H3
InChIKeyKRNDYQHSYRDQLI-UHFFFAOYSA-N
MW211.35 g/mol
LogP0.62
Rot. Bonds1

About 1,2,2-trimethyl-4-(4-methylpyrrolidin-3-yl)piperazine

1,2,2-trimethyl-4-(4-methylpyrrolidin-3-yl)piperazine (PubChem CID 81459939) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is 1,2,2-trimethyl-4-(4-methylpyrrolidin-3-yl)piperazine.

Molecular Properties

Compound Name1,2,2-trimethyl-4-(4-methylpyrrolidin-3-yl)piperazine
PubChem CID81459939
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC Name1,2,2-trimethyl-4-(4-methylpyrrolidin-3-yl)piperazine
SMILESCC1CNCC1N1CCN(C)C(C)(C)C1
InChIInChI=1S/C12H25N3/c1-10-7-13-8-11(10)15-6-5-14(4)12(2,3)9-15/h10-11,13H,5-9H2,1-4H3
InChIKeyKRNDYQHSYRDQLI-UHFFFAOYSA-N
XLogP0.62
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2,2-trimethyl-4-(4-methylpyrrolidin-3-yl)piperazine?
The IUPAC name of 1,2,2-trimethyl-4-(4-methylpyrrolidin-3-yl)piperazine (CID 81459939) is 1,2,2-trimethyl-4-(4-methylpyrrolidin-3-yl)piperazine.
What is the SMILES notation for 1,2,2-trimethyl-4-(4-methylpyrrolidin-3-yl)piperazine?
The canonical SMILES for 1,2,2-trimethyl-4-(4-methylpyrrolidin-3-yl)piperazine is CC1CNCC1N1CCN(C)C(C)(C)C1.
What is the InChIKey of 1,2,2-trimethyl-4-(4-methylpyrrolidin-3-yl)piperazine?
The InChIKey is KRNDYQHSYRDQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3/c1-10-7-13-8-11(10)15-6-5-14(4)12(2,3)9-15/h10-11,13H,5-9H2,1-4H3.
What are the key properties of 1,2,2-trimethyl-4-(4-methylpyrrolidin-3-yl)piperazine?
1,2,2-trimethyl-4-(4-methylpyrrolidin-3-yl)piperazine has a molecular weight of 211.35 g/mol, XLogP of 0.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2-trimethyl-4-(4-methylpyrrolidin-3-yl)piperazine is sourced from PubChem (CID 81459939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).