5-butan-2-yl-1-(3-chlorophenyl)-2-propan-2-ylpiperazine

C17H27ClN2 — CID 64936927

IUPAC5-butan-2-yl-1-(3-chlorophenyl)-2-propan-2-ylpiperazine
SMILESCCC(C)C1CN(c2cccc(Cl)c2)C(C(C)C)CN1
InChIInChI=1S/C17H27ClN2/c1-5-13(4)16-11-20(17(10-19-16)12(2)3)15-8-6-7-14(18)9-15/h6-9,12-13,16-17,19H,5,10-11H2,1-4H3
InChIKeyGTHPUGJIOHMTQZ-UHFFFAOYSA-N
MW294.87 g/mol
LogP4.19
Rot. Bonds4

About 5-butan-2-yl-1-(3-chlorophenyl)-2-propan-2-ylpiperazine

5-butan-2-yl-1-(3-chlorophenyl)-2-propan-2-ylpiperazine (PubChem CID 64936927) has the molecular formula C17H27ClN2 and a molecular weight of 294.87 g/mol. Its IUPAC name is 5-butan-2-yl-1-(3-chlorophenyl)-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name5-butan-2-yl-1-(3-chlorophenyl)-2-propan-2-ylpiperazine
PubChem CID64936927
Molecular FormulaC17H27ClN2
Molecular Weight294.87 g/mol
Exact Mass294.19
IUPAC Name5-butan-2-yl-1-(3-chlorophenyl)-2-propan-2-ylpiperazine
SMILESCCC(C)C1CN(c2cccc(Cl)c2)C(C(C)C)CN1
InChIInChI=1S/C17H27ClN2/c1-5-13(4)16-11-20(17(10-19-16)12(2)3)15-8-6-7-14(18)9-15/h6-9,12-13,16-17,19H,5,10-11H2,1-4H3
InChIKeyGTHPUGJIOHMTQZ-UHFFFAOYSA-N
XLogP4.19
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.87
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-butan-2-yl-1-(3-chlorophenyl)-2-methylpiperazine
CID 64936737
5-butan-2-yl-1-(3-chloro-4-methylphenyl)-2-propan-2-ylpiperazine
CID 64939227
5-butan-2-yl-2-propan-2-yl-1-pyridin-3-ylpiperazine
CID 64952069
5-ethyl-1-(3-methoxyphenyl)-2-propan-2-ylpiperazine
CID 64932840
2-butan-2-yl-1-[(3-chlorophenyl)methyl]-5-ethylpiperazine
CID 64842906
1-(5-chloro-2-methylphenyl)-2,5-di(propan-2-yl)piperazine
CID 64938084
5-butan-2-yl-1-(2-chloro-6-methylphenyl)-2-methylpiperazine
CID 66254143
1-(3-methoxyphenyl)-2-propan-2-yl-5-propylpiperazine
CID 64933006
5-ethyl-1-phenyl-2-propan-2-ylpiperazine
CID 64930277
1-(4-ethoxyphenyl)-2,5-di(propan-2-yl)piperazine
CID 64952074
2,5-di(propan-2-yl)-1-pyridin-3-ylpiperazine
CID 64952663
1-(3-fluoro-4-methylphenyl)-2,5-di(propan-2-yl)piperazine
CID 64954088

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-1-(3-chlorophenyl)-2-propan-2-ylpiperazine?
The IUPAC name of 5-butan-2-yl-1-(3-chlorophenyl)-2-propan-2-ylpiperazine (CID 64936927) is 5-butan-2-yl-1-(3-chlorophenyl)-2-propan-2-ylpiperazine.
What is the SMILES notation for 5-butan-2-yl-1-(3-chlorophenyl)-2-propan-2-ylpiperazine?
The canonical SMILES for 5-butan-2-yl-1-(3-chlorophenyl)-2-propan-2-ylpiperazine is CCC(C)C1CN(c2cccc(Cl)c2)C(C(C)C)CN1.
What is the InChIKey of 5-butan-2-yl-1-(3-chlorophenyl)-2-propan-2-ylpiperazine?
The InChIKey is GTHPUGJIOHMTQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2/c1-5-13(4)16-11-20(17(10-19-16)12(2)3)15-8-6-7-14(18)9-15/h6-9,12-13,16-17,19H,5,10-11H2,1-4H3.
What are the key properties of 5-butan-2-yl-1-(3-chlorophenyl)-2-propan-2-ylpiperazine?
5-butan-2-yl-1-(3-chlorophenyl)-2-propan-2-ylpiperazine has a molecular weight of 294.87 g/mol, XLogP of 4.19, 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-1-(3-chlorophenyl)-2-propan-2-ylpiperazine is sourced from PubChem (CID 64936927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).