5-butan-2-yl-1-(1-cyclopropylethyl)-2-propan-2-ylpiperazine

C16H32N2 — CID 64939021

IUPAC5-butan-2-yl-1-(1-cyclopropylethyl)-2-propan-2-ylpiperazine
SMILESCCC(C)C1CN(C(C)C2CC2)C(C(C)C)CN1
InChIInChI=1S/C16H32N2/c1-6-12(4)15-10-18(13(5)14-7-8-14)16(9-17-15)11(2)3/h11-17H,6-10H2,1-5H3
InChIKeyBVJGQDGXNZZNCW-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.13
Rot. Bonds5

About 5-butan-2-yl-1-(1-cyclopropylethyl)-2-propan-2-ylpiperazine

5-butan-2-yl-1-(1-cyclopropylethyl)-2-propan-2-ylpiperazine (PubChem CID 64939021) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 5-butan-2-yl-1-(1-cyclopropylethyl)-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name5-butan-2-yl-1-(1-cyclopropylethyl)-2-propan-2-ylpiperazine
PubChem CID64939021
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name5-butan-2-yl-1-(1-cyclopropylethyl)-2-propan-2-ylpiperazine
SMILESCCC(C)C1CN(C(C)C2CC2)C(C(C)C)CN1
InChIInChI=1S/C16H32N2/c1-6-12(4)15-10-18(13(5)14-7-8-14)16(9-17-15)11(2)3/h11-17H,6-10H2,1-5H3
InChIKeyBVJGQDGXNZZNCW-UHFFFAOYSA-N
XLogP3.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-cyclopentylethyl)-2,5-di(propan-2-yl)piperazine
CID 64936479
5-butan-2-yl-1-pent-1-yn-3-yl-2-propan-2-ylpiperazine
CID 106224498
5-cyclohexyl-1-(1-cyclopropylethyl)-2-propan-2-ylpiperazine
CID 64934247
2-[1-(5-butan-2-yl-2-propan-2-ylpiperazin-1-yl)ethyl]-5-methyl-1,3-oxazole
CID 106389954
2-[1-(5-butan-2-yl-2-propan-2-ylpiperazin-1-yl)ethyl]-1,3-thiazole
CID 64936499
5-butan-2-yl-2-cyclopropyl-1-propan-2-ylpiperazine
CID 64849015
5-butan-2-yl-1-[(4-methylcyclohexyl)methyl]-2-propan-2-ylpiperazine
CID 64937815
5-butan-2-yl-1-(1-methylpiperidin-3-yl)-2-propan-2-ylpiperazine
CID 64936576
5-butan-2-yl-1-(2,3-dimethylcyclohexyl)-2-propan-2-ylpiperazine
CID 64953097
5-butan-2-yl-1-(2-methyl-3-methylsulfanylpropyl)-2-propan-2-ylpiperazine
CID 64937634
5-butan-2-yl-1-[(E)-3-chloroprop-2-enyl]-2-propan-2-ylpiperazine
CID 107901638
5-butan-2-yl-1-(2-ethylhexyl)-2-propan-2-ylpiperazine
CID 64849197

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-1-(1-cyclopropylethyl)-2-propan-2-ylpiperazine?
The IUPAC name of 5-butan-2-yl-1-(1-cyclopropylethyl)-2-propan-2-ylpiperazine (CID 64939021) is 5-butan-2-yl-1-(1-cyclopropylethyl)-2-propan-2-ylpiperazine.
What is the SMILES notation for 5-butan-2-yl-1-(1-cyclopropylethyl)-2-propan-2-ylpiperazine?
The canonical SMILES for 5-butan-2-yl-1-(1-cyclopropylethyl)-2-propan-2-ylpiperazine is CCC(C)C1CN(C(C)C2CC2)C(C(C)C)CN1.
What is the InChIKey of 5-butan-2-yl-1-(1-cyclopropylethyl)-2-propan-2-ylpiperazine?
The InChIKey is BVJGQDGXNZZNCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-6-12(4)15-10-18(13(5)14-7-8-14)16(9-17-15)11(2)3/h11-17H,6-10H2,1-5H3.
What are the key properties of 5-butan-2-yl-1-(1-cyclopropylethyl)-2-propan-2-ylpiperazine?
5-butan-2-yl-1-(1-cyclopropylethyl)-2-propan-2-ylpiperazine has a molecular weight of 252.45 g/mol, XLogP of 3.13, 5 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-(1-cyclopropylethyl)-2-propan-2-ylpiperazine is sourced from PubChem (CID 64939021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).