5-butan-2-yl-2-methyl-1-(2-phenylcyclopropyl)piperazine

C18H28N2 — CID 64936617

IUPAC5-butan-2-yl-2-methyl-1-(2-phenylcyclopropyl)piperazine
SMILESCCC(C)C1CN(C2CC2c2ccccc2)C(C)CN1
InChIInChI=1S/C18H28N2/c1-4-13(2)17-12-20(14(3)11-19-17)18-10-16(18)15-8-6-5-7-9-15/h5-9,13-14,16-19H,4,10-12H2,1-3H3
InChIKeyRUMUJLQEAQWETR-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.25
Rot. Bonds4

About 5-butan-2-yl-2-methyl-1-(2-phenylcyclopropyl)piperazine

5-butan-2-yl-2-methyl-1-(2-phenylcyclopropyl)piperazine (PubChem CID 64936617) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 5-butan-2-yl-2-methyl-1-(2-phenylcyclopropyl)piperazine.

Molecular Properties

Compound Name5-butan-2-yl-2-methyl-1-(2-phenylcyclopropyl)piperazine
PubChem CID64936617
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name5-butan-2-yl-2-methyl-1-(2-phenylcyclopropyl)piperazine
SMILESCCC(C)C1CN(C2CC2c2ccccc2)C(C)CN1
InChIInChI=1S/C18H28N2/c1-4-13(2)17-12-20(14(3)11-19-17)18-10-16(18)15-8-6-5-7-9-15/h5-9,13-14,16-19H,4,10-12H2,1-3H3
InChIKeyRUMUJLQEAQWETR-UHFFFAOYSA-N
XLogP3.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dimethyl-1-(2-phenylcyclopropyl)piperazine
CID 64936999
2-ethyl-1-(2-phenylcyclopropyl)-5-propan-2-ylpiperazine
CID 64936616
5-butan-2-yl-1-(2,3-dihydro-1H-inden-2-yl)-2-methylpiperazine
CID 107854034
3-butan-2-yl-1-(2-phenylcyclopropyl)-1,4-diazepane
CID 64950135
5-butan-2-yl-1-cyclopropyl-2-methylpiperazine
CID 64954275
1-(5-butan-2-yl-2-methylpiperazin-1-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
CID 64937377
5-butan-2-yl-1-cyclobutyl-2-methylpiperazine
CID 64938367
1-benzyl-5-butan-2-yl-2-phenylpiperazine
CID 64849792
5-butan-2-yl-2-methyl-1-(4-methylcyclohexyl)piperazine
CID 64954699
5-butan-2-yl-1-(2-fluorophenyl)-2-methylpiperazine
CID 64953705
5-butan-2-yl-2-methyl-1-[1-(2-methylphenyl)ethyl]piperazine
CID 64939080
5-butan-2-yl-1-(3-methylbutyl)-2-phenylpiperazine
CID 64849021

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-2-methyl-1-(2-phenylcyclopropyl)piperazine?
The IUPAC name of 5-butan-2-yl-2-methyl-1-(2-phenylcyclopropyl)piperazine (CID 64936617) is 5-butan-2-yl-2-methyl-1-(2-phenylcyclopropyl)piperazine.
What is the SMILES notation for 5-butan-2-yl-2-methyl-1-(2-phenylcyclopropyl)piperazine?
The canonical SMILES for 5-butan-2-yl-2-methyl-1-(2-phenylcyclopropyl)piperazine is CCC(C)C1CN(C2CC2c2ccccc2)C(C)CN1.
What is the InChIKey of 5-butan-2-yl-2-methyl-1-(2-phenylcyclopropyl)piperazine?
The InChIKey is RUMUJLQEAQWETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-4-13(2)17-12-20(14(3)11-19-17)18-10-16(18)15-8-6-5-7-9-15/h5-9,13-14,16-19H,4,10-12H2,1-3H3.
What are the key properties of 5-butan-2-yl-2-methyl-1-(2-phenylcyclopropyl)piperazine?
5-butan-2-yl-2-methyl-1-(2-phenylcyclopropyl)piperazine has a molecular weight of 272.44 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-2-methyl-1-(2-phenylcyclopropyl)piperazine is sourced from PubChem (CID 64936617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).