1-butan-2-yl-4-(2,4-dimethylphenyl)piperazine

C16H26N2 — CID 173374498

IUPAC1-butan-2-yl-4-(2,4-dimethylphenyl)piperazine
SMILESCCC(C)N1CCN(c2ccc(C)cc2C)CC1
InChIInChI=1S/C16H26N2/c1-5-15(4)17-8-10-18(11-9-17)16-7-6-13(2)12-14(16)3/h6-7,12,15H,5,8-11H2,1-4H3
InChIKeyYMVWUDCKNSYSRO-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.22
Rot. Bonds3

About 1-butan-2-yl-4-(2,4-dimethylphenyl)piperazine

1-butan-2-yl-4-(2,4-dimethylphenyl)piperazine (PubChem CID 173374498) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 1-butan-2-yl-4-(2,4-dimethylphenyl)piperazine.

Molecular Properties

Compound Name1-butan-2-yl-4-(2,4-dimethylphenyl)piperazine
PubChem CID173374498
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name1-butan-2-yl-4-(2,4-dimethylphenyl)piperazine
SMILESCCC(C)N1CCN(c2ccc(C)cc2C)CC1
InChIInChI=1S/C16H26N2/c1-5-15(4)17-8-10-18(11-9-17)16-7-6-13(2)12-14(16)3/h6-7,12,15H,5,8-11H2,1-4H3
InChIKeyYMVWUDCKNSYSRO-UHFFFAOYSA-N
XLogP3.22
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-4-(2,4-dimethylphenyl)piperazine?
The IUPAC name of 1-butan-2-yl-4-(2,4-dimethylphenyl)piperazine (CID 173374498) is 1-butan-2-yl-4-(2,4-dimethylphenyl)piperazine.
What is the SMILES notation for 1-butan-2-yl-4-(2,4-dimethylphenyl)piperazine?
The canonical SMILES for 1-butan-2-yl-4-(2,4-dimethylphenyl)piperazine is CCC(C)N1CCN(c2ccc(C)cc2C)CC1.
What is the InChIKey of 1-butan-2-yl-4-(2,4-dimethylphenyl)piperazine?
The InChIKey is YMVWUDCKNSYSRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-5-15(4)17-8-10-18(11-9-17)16-7-6-13(2)12-14(16)3/h6-7,12,15H,5,8-11H2,1-4H3.
What are the key properties of 1-butan-2-yl-4-(2,4-dimethylphenyl)piperazine?
1-butan-2-yl-4-(2,4-dimethylphenyl)piperazine has a molecular weight of 246.40 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-4-(2,4-dimethylphenyl)piperazine is sourced from PubChem (CID 173374498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).