1-(1,5-dimethylpyrrolidin-3-yl)-2,2-dimethylpiperazine

C12H25N3 — CID 81467918

IUPAC1-(1,5-dimethylpyrrolidin-3-yl)-2,2-dimethylpiperazine
SMILESCC1CC(N2CCNCC2(C)C)CN1C
InChIInChI=1S/C12H25N3/c1-10-7-11(8-14(10)4)15-6-5-13-9-12(15,2)3/h10-11,13H,5-9H2,1-4H3
InChIKeyBCXWRXVVDZMLFZ-UHFFFAOYSA-N
MW211.35 g/mol
LogP0.76
Rot. Bonds1

About 1-(1,5-dimethylpyrrolidin-3-yl)-2,2-dimethylpiperazine

1-(1,5-dimethylpyrrolidin-3-yl)-2,2-dimethylpiperazine (PubChem CID 81467918) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is 1-(1,5-dimethylpyrrolidin-3-yl)-2,2-dimethylpiperazine.

Molecular Properties

Compound Name1-(1,5-dimethylpyrrolidin-3-yl)-2,2-dimethylpiperazine
PubChem CID81467918
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC Name1-(1,5-dimethylpyrrolidin-3-yl)-2,2-dimethylpiperazine
SMILESCC1CC(N2CCNCC2(C)C)CN1C
InChIInChI=1S/C12H25N3/c1-10-7-11(8-14(10)4)15-6-5-13-9-12(15,2)3/h10-11,13H,5-9H2,1-4H3
InChIKeyBCXWRXVVDZMLFZ-UHFFFAOYSA-N
XLogP0.76
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 ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,5-dimethylpyrrolidin-3-yl)-2,2-dimethylpiperazine?
The IUPAC name of 1-(1,5-dimethylpyrrolidin-3-yl)-2,2-dimethylpiperazine (CID 81467918) is 1-(1,5-dimethylpyrrolidin-3-yl)-2,2-dimethylpiperazine.
What is the SMILES notation for 1-(1,5-dimethylpyrrolidin-3-yl)-2,2-dimethylpiperazine?
The canonical SMILES for 1-(1,5-dimethylpyrrolidin-3-yl)-2,2-dimethylpiperazine is CC1CC(N2CCNCC2(C)C)CN1C.
What is the InChIKey of 1-(1,5-dimethylpyrrolidin-3-yl)-2,2-dimethylpiperazine?
The InChIKey is BCXWRXVVDZMLFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3/c1-10-7-11(8-14(10)4)15-6-5-13-9-12(15,2)3/h10-11,13H,5-9H2,1-4H3.
What are the key properties of 1-(1,5-dimethylpyrrolidin-3-yl)-2,2-dimethylpiperazine?
1-(1,5-dimethylpyrrolidin-3-yl)-2,2-dimethylpiperazine has a molecular weight of 211.35 g/mol, XLogP of 0.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,5-dimethylpyrrolidin-3-yl)-2,2-dimethylpiperazine is sourced from PubChem (CID 81467918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).