5-butan-2-yl-1-cyclopropyl-2-methylpiperazine

C12H24N2 — CID 64954275

IUPAC5-butan-2-yl-1-cyclopropyl-2-methylpiperazine
SMILESCCC(C)C1CN(C2CC2)C(C)CN1
InChIInChI=1S/C12H24N2/c1-4-9(2)12-8-14(11-5-6-11)10(3)7-13-12/h9-13H,4-8H2,1-3H3
InChIKeyNIHWOCJPBQSDPJ-UHFFFAOYSA-N
MW196.34 g/mol
LogP1.86
Rot. Bonds3

About 5-butan-2-yl-1-cyclopropyl-2-methylpiperazine

5-butan-2-yl-1-cyclopropyl-2-methylpiperazine (PubChem CID 64954275) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 5-butan-2-yl-1-cyclopropyl-2-methylpiperazine.

Molecular Properties

Compound Name5-butan-2-yl-1-cyclopropyl-2-methylpiperazine
PubChem CID64954275
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name5-butan-2-yl-1-cyclopropyl-2-methylpiperazine
SMILESCCC(C)C1CN(C2CC2)C(C)CN1
InChIInChI=1S/C12H24N2/c1-4-9(2)12-8-14(11-5-6-11)10(3)7-13-12/h9-13H,4-8H2,1-3H3
InChIKeyNIHWOCJPBQSDPJ-UHFFFAOYSA-N
XLogP1.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-butan-2-yl-2-methyl-1-(4-methylcyclohexyl)piperazine
CID 64954699
5-butan-2-yl-1-cyclobutyl-2-methylpiperazine
CID 64938367
5-butan-2-yl-2-methyl-1-(4-propylcyclohexyl)piperazine
CID 64936600
5-butan-2-yl-1-(2,3-dihydro-1H-inden-2-yl)-2-methylpiperazine
CID 107854034
5-butan-2-yl-1-(2,2-dimethylcyclopentyl)-2-methylpiperazine
CID 79878573
5-butan-2-yl-1-cyclopentyl-2-ethylpiperazine
CID 64954283
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-cyclohexyl-2-ethylpiperazine
CID 64954483
5-butan-2-yl-2-ethyl-1-(1-methylpiperidin-4-yl)piperazine
CID 64937106
5-butan-2-yl-2-methyl-1-(2-phenylcyclopropyl)piperazine
CID 64936617
5-butan-2-yl-2-methyl-1-(5-methylhexan-2-yl)piperazine
CID 64938208
1-cyclopropyl-2,5-dimethylpiperazine
CID 64954280

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-1-cyclopropyl-2-methylpiperazine?
The IUPAC name of 5-butan-2-yl-1-cyclopropyl-2-methylpiperazine (CID 64954275) is 5-butan-2-yl-1-cyclopropyl-2-methylpiperazine.
What is the SMILES notation for 5-butan-2-yl-1-cyclopropyl-2-methylpiperazine?
The canonical SMILES for 5-butan-2-yl-1-cyclopropyl-2-methylpiperazine is CCC(C)C1CN(C2CC2)C(C)CN1.
What is the InChIKey of 5-butan-2-yl-1-cyclopropyl-2-methylpiperazine?
The InChIKey is NIHWOCJPBQSDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-4-9(2)12-8-14(11-5-6-11)10(3)7-13-12/h9-13H,4-8H2,1-3H3.
What are the key properties of 5-butan-2-yl-1-cyclopropyl-2-methylpiperazine?
5-butan-2-yl-1-cyclopropyl-2-methylpiperazine has a molecular weight of 196.34 g/mol, XLogP of 1.86, 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-cyclopropyl-2-methylpiperazine is sourced from PubChem (CID 64954275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).