1-butyl-4-(5,5-dimethylpyrrolidin-3-yl)piperazine

C14H29N3 — CID 117019008

IUPAC1-butyl-4-(5,5-dimethylpyrrolidin-3-yl)piperazine
SMILESCCCCN1CCN(C2CNC(C)(C)C2)CC1
InChIInChI=1S/C14H29N3/c1-4-5-6-16-7-9-17(10-8-16)13-11-14(2,3)15-12-13/h13,15H,4-12H2,1-3H3
InChIKeyFDQWNMBLWJUWMJ-UHFFFAOYSA-N
MW239.41 g/mol
LogP1.54
Rot. Bonds4

About 1-butyl-4-(5,5-dimethylpyrrolidin-3-yl)piperazine

1-butyl-4-(5,5-dimethylpyrrolidin-3-yl)piperazine (PubChem CID 117019008) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is 1-butyl-4-(5,5-dimethylpyrrolidin-3-yl)piperazine.

Molecular Properties

Compound Name1-butyl-4-(5,5-dimethylpyrrolidin-3-yl)piperazine
PubChem CID117019008
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC Name1-butyl-4-(5,5-dimethylpyrrolidin-3-yl)piperazine
SMILESCCCCN1CCN(C2CNC(C)(C)C2)CC1
InChIInChI=1S/C14H29N3/c1-4-5-6-16-7-9-17(10-8-16)13-11-14(2,3)15-12-13/h13,15H,4-12H2,1-3H3
InChIKeyFDQWNMBLWJUWMJ-UHFFFAOYSA-N
XLogP1.54
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-(5,5-dimethylpyrrolidin-3-yl)piperazine?
The IUPAC name of 1-butyl-4-(5,5-dimethylpyrrolidin-3-yl)piperazine (CID 117019008) is 1-butyl-4-(5,5-dimethylpyrrolidin-3-yl)piperazine.
What is the SMILES notation for 1-butyl-4-(5,5-dimethylpyrrolidin-3-yl)piperazine?
The canonical SMILES for 1-butyl-4-(5,5-dimethylpyrrolidin-3-yl)piperazine is CCCCN1CCN(C2CNC(C)(C)C2)CC1.
What is the InChIKey of 1-butyl-4-(5,5-dimethylpyrrolidin-3-yl)piperazine?
The InChIKey is FDQWNMBLWJUWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-4-5-6-16-7-9-17(10-8-16)13-11-14(2,3)15-12-13/h13,15H,4-12H2,1-3H3.
What are the key properties of 1-butyl-4-(5,5-dimethylpyrrolidin-3-yl)piperazine?
1-butyl-4-(5,5-dimethylpyrrolidin-3-yl)piperazine has a molecular weight of 239.41 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-(5,5-dimethylpyrrolidin-3-yl)piperazine is sourced from PubChem (CID 117019008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).