1-butan-2-yl-3,5-dimethylpiperazine;1-butyl-3,5-dimethylpiperazine

C20H44N4 — CID 68570113

IUPAC1-butan-2-yl-3,5-dimethylpiperazine;1-butyl-3,5-dimethylpiperazine
SMILESCCC(C)N1CC(C)NC(C)C1.CCCCN1CC(C)NC(C)C1
InChIInChI=1S/2C10H22N2/c1-5-10(4)12-6-8(2)11-9(3)7-12;1-4-5-6-12-7-9(2)11-10(3)8-12/h8-11H,5-7H2,1-4H3;9-11H,4-8H2,1-3H3
InChIKeySRTXLMIPSQZHRX-UHFFFAOYSA-N
MW340.60 g/mol
LogP2.94
Rot. Bonds5

About 1-butan-2-yl-3,5-dimethylpiperazine;1-butyl-3,5-dimethylpiperazine

1-butan-2-yl-3,5-dimethylpiperazine;1-butyl-3,5-dimethylpiperazine (PubChem CID 68570113) has the molecular formula C20H44N4 and a molecular weight of 340.60 g/mol. Its IUPAC name is 1-butan-2-yl-3,5-dimethylpiperazine;1-butyl-3,5-dimethylpiperazine.

Molecular Properties

Compound Name1-butan-2-yl-3,5-dimethylpiperazine;1-butyl-3,5-dimethylpiperazine
PubChem CID68570113
Molecular FormulaC20H44N4
Molecular Weight340.60 g/mol
Exact Mass340.36
IUPAC Name1-butan-2-yl-3,5-dimethylpiperazine;1-butyl-3,5-dimethylpiperazine
SMILESCCC(C)N1CC(C)NC(C)C1.CCCCN1CC(C)NC(C)C1
InChIInChI=1S/2C10H22N2/c1-5-10(4)12-6-8(2)11-9(3)7-12;1-4-5-6-12-7-9(2)11-10(3)8-12/h8-11H,5-7H2,1-4H3;9-11H,4-8H2,1-3H3
InChIKeySRTXLMIPSQZHRX-UHFFFAOYSA-N
XLogP2.94
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.60
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-3,5-dimethylpiperazine;1-butyl-3,5-dimethylpiperazine?
The IUPAC name of 1-butan-2-yl-3,5-dimethylpiperazine;1-butyl-3,5-dimethylpiperazine (CID 68570113) is 1-butan-2-yl-3,5-dimethylpiperazine;1-butyl-3,5-dimethylpiperazine.
What is the SMILES notation for 1-butan-2-yl-3,5-dimethylpiperazine;1-butyl-3,5-dimethylpiperazine?
The canonical SMILES for 1-butan-2-yl-3,5-dimethylpiperazine;1-butyl-3,5-dimethylpiperazine is CCC(C)N1CC(C)NC(C)C1.CCCCN1CC(C)NC(C)C1.
What is the InChIKey of 1-butan-2-yl-3,5-dimethylpiperazine;1-butyl-3,5-dimethylpiperazine?
The InChIKey is SRTXLMIPSQZHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H22N2/c1-5-10(4)12-6-8(2)11-9(3)7-12;1-4-5-6-12-7-9(2)11-10(3)8-12/h8-11H,5-7H2,1-4H3;9-11H,4-8H2,1-3H3.
What are the key properties of 1-butan-2-yl-3,5-dimethylpiperazine;1-butyl-3,5-dimethylpiperazine?
1-butan-2-yl-3,5-dimethylpiperazine;1-butyl-3,5-dimethylpiperazine has a molecular weight of 340.60 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-3,5-dimethylpiperazine;1-butyl-3,5-dimethylpiperazine is sourced from PubChem (CID 68570113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).