5-butan-2-yl-1-(2,3-dihydro-1H-inden-2-yl)-2-methylpiperazine

C18H28N2 — CID 107854034

IUPAC5-butan-2-yl-1-(2,3-dihydro-1H-inden-2-yl)-2-methylpiperazine
SMILESCCC(C)C1CN(C2Cc3ccccc3C2)C(C)CN1
InChIInChI=1S/C18H28N2/c1-4-13(2)18-12-20(14(3)11-19-18)17-9-15-7-5-6-8-16(15)10-17/h5-8,13-14,17-19H,4,9-12H2,1-3H3
InChIKeyYCAXXFQTKFPBRH-UHFFFAOYSA-N
MW272.44 g/mol
LogP2.86
Rot. Bonds3

About 5-butan-2-yl-1-(2,3-dihydro-1H-inden-2-yl)-2-methylpiperazine

5-butan-2-yl-1-(2,3-dihydro-1H-inden-2-yl)-2-methylpiperazine (PubChem CID 107854034) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 5-butan-2-yl-1-(2,3-dihydro-1H-inden-2-yl)-2-methylpiperazine.

Molecular Properties

Compound Name5-butan-2-yl-1-(2,3-dihydro-1H-inden-2-yl)-2-methylpiperazine
PubChem CID107854034
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name5-butan-2-yl-1-(2,3-dihydro-1H-inden-2-yl)-2-methylpiperazine
SMILESCCC(C)C1CN(C2Cc3ccccc3C2)C(C)CN1
InChIInChI=1S/C18H28N2/c1-4-13(2)18-12-20(14(3)11-19-18)17-9-15-7-5-6-8-16(15)10-17/h5-8,13-14,17-19H,4,9-12H2,1-3H3
InChIKeyYCAXXFQTKFPBRH-UHFFFAOYSA-N
XLogP2.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 64953705
5-butan-2-yl-2-methyl-1-(4-propylcyclohexyl)piperazine
CID 64936600
2-(5-butan-2-yl-2-methylpiperazin-1-yl)-N,N-dimethylaniline
CID 106760888
5-butan-2-yl-1-(2-tert-butylphenyl)-2-methylpiperazine
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5-butan-2-yl-2-methyl-1-[1-(2-methylphenyl)ethyl]piperazine
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Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-1-(2,3-dihydro-1H-inden-2-yl)-2-methylpiperazine?
The IUPAC name of 5-butan-2-yl-1-(2,3-dihydro-1H-inden-2-yl)-2-methylpiperazine (CID 107854034) is 5-butan-2-yl-1-(2,3-dihydro-1H-inden-2-yl)-2-methylpiperazine.
What is the SMILES notation for 5-butan-2-yl-1-(2,3-dihydro-1H-inden-2-yl)-2-methylpiperazine?
The canonical SMILES for 5-butan-2-yl-1-(2,3-dihydro-1H-inden-2-yl)-2-methylpiperazine is CCC(C)C1CN(C2Cc3ccccc3C2)C(C)CN1.
What is the InChIKey of 5-butan-2-yl-1-(2,3-dihydro-1H-inden-2-yl)-2-methylpiperazine?
The InChIKey is YCAXXFQTKFPBRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-4-13(2)18-12-20(14(3)11-19-18)17-9-15-7-5-6-8-16(15)10-17/h5-8,13-14,17-19H,4,9-12H2,1-3H3.
What are the key properties of 5-butan-2-yl-1-(2,3-dihydro-1H-inden-2-yl)-2-methylpiperazine?
5-butan-2-yl-1-(2,3-dihydro-1H-inden-2-yl)-2-methylpiperazine has a molecular weight of 272.44 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-1-(2,3-dihydro-1H-inden-2-yl)-2-methylpiperazine is sourced from PubChem (CID 107854034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).