1-(2,2-dimethylpropyl)-3-propylpiperazine

C12H26N2 — CID 64925908

IUPAC1-(2,2-dimethylpropyl)-3-propylpiperazine
SMILESCCCC1CN(CC(C)(C)C)CCN1
InChIInChI=1S/C12H26N2/c1-5-6-11-9-14(8-7-13-11)10-12(2,3)4/h11,13H,5-10H2,1-4H3
InChIKeyNWHXHZQEVUJYNB-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.11
Rot. Bonds3

About 1-(2,2-dimethylpropyl)-3-propylpiperazine

1-(2,2-dimethylpropyl)-3-propylpiperazine (PubChem CID 64925908) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-3-propylpiperazine.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-3-propylpiperazine
PubChem CID64925908
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name1-(2,2-dimethylpropyl)-3-propylpiperazine
SMILESCCCC1CN(CC(C)(C)C)CCN1
InChIInChI=1S/C12H26N2/c1-5-6-11-9-14(8-7-13-11)10-12(2,3)4/h11,13H,5-10H2,1-4H3
InChIKeyNWHXHZQEVUJYNB-UHFFFAOYSA-N
XLogP2.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)-3-propylpiperazine?
The IUPAC name of 1-(2,2-dimethylpropyl)-3-propylpiperazine (CID 64925908) is 1-(2,2-dimethylpropyl)-3-propylpiperazine.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-3-propylpiperazine?
The canonical SMILES for 1-(2,2-dimethylpropyl)-3-propylpiperazine is CCCC1CN(CC(C)(C)C)CCN1.
What is the InChIKey of 1-(2,2-dimethylpropyl)-3-propylpiperazine?
The InChIKey is NWHXHZQEVUJYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-5-6-11-9-14(8-7-13-11)10-12(2,3)4/h11,13H,5-10H2,1-4H3.
What are the key properties of 1-(2,2-dimethylpropyl)-3-propylpiperazine?
1-(2,2-dimethylpropyl)-3-propylpiperazine has a molecular weight of 198.35 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-3-propylpiperazine is sourced from PubChem (CID 64925908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).