2-propan-2-yl-1-(3-propan-2-ylphenyl)piperazine

C16H26N2 — CID 64938811

IUPAC2-propan-2-yl-1-(3-propan-2-ylphenyl)piperazine
SMILESCC(C)c1cccc(N2CCNCC2C(C)C)c1
InChIInChI=1S/C16H26N2/c1-12(2)14-6-5-7-15(10-14)18-9-8-17-11-16(18)13(3)4/h5-7,10,12-13,16-17H,8-9,11H2,1-4H3
InChIKeyMJYQUZMLSWILDD-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.24
Rot. Bonds3

About 2-propan-2-yl-1-(3-propan-2-ylphenyl)piperazine

2-propan-2-yl-1-(3-propan-2-ylphenyl)piperazine (PubChem CID 64938811) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 2-propan-2-yl-1-(3-propan-2-ylphenyl)piperazine.

Molecular Properties

Compound Name2-propan-2-yl-1-(3-propan-2-ylphenyl)piperazine
PubChem CID64938811
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name2-propan-2-yl-1-(3-propan-2-ylphenyl)piperazine
SMILESCC(C)c1cccc(N2CCNCC2C(C)C)c1
InChIInChI=1S/C16H26N2/c1-12(2)14-6-5-7-15(10-14)18-9-8-17-11-16(18)13(3)4/h5-7,10,12-13,16-17H,8-9,11H2,1-4H3
InChIKeyMJYQUZMLSWILDD-UHFFFAOYSA-N
XLogP3.24
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 3-[(2S)-2-propan-2-ylpiperazin-1-yl]benzoate
CID 45073000
1-(3,4-dichlorophenyl)-2-propan-2-ylpiperazine
CID 64936711
2-propan-2-yl-1-(3,4,5-trifluorophenyl)piperazine
CID 64930921
1-[4-methyl-3-(trifluoromethyl)phenyl]-2-propan-2-ylpiperazine
CID 64932305
1-(1-phenylpiperazin-2-yl)ethanol
CID 70356757
1-(4-methylsulfanylphenyl)-2-propan-2-ylpiperazine
CID 64937086
1-(2-iodophenyl)-2-propan-2-ylpiperazine
CID 64932087
2-methyl-5-propan-2-yl-1-(3-propan-2-ylphenyl)piperazine
CID 64936332
3-methyl-1-(3-propan-2-ylphenyl)piperazine
CID 20814161
1-(2,5-dibromophenyl)-2-propan-2-ylpiperazine
CID 64931294
1-(2-methoxyphenyl)-2-propan-2-ylpiperazine
CID 64938034
1-(3-butan-2-yloxyphenyl)-2-methylpiperazine
CID 64930917

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-1-(3-propan-2-ylphenyl)piperazine?
The IUPAC name of 2-propan-2-yl-1-(3-propan-2-ylphenyl)piperazine (CID 64938811) is 2-propan-2-yl-1-(3-propan-2-ylphenyl)piperazine.
What is the SMILES notation for 2-propan-2-yl-1-(3-propan-2-ylphenyl)piperazine?
The canonical SMILES for 2-propan-2-yl-1-(3-propan-2-ylphenyl)piperazine is CC(C)c1cccc(N2CCNCC2C(C)C)c1.
What is the InChIKey of 2-propan-2-yl-1-(3-propan-2-ylphenyl)piperazine?
The InChIKey is MJYQUZMLSWILDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-12(2)14-6-5-7-15(10-14)18-9-8-17-11-16(18)13(3)4/h5-7,10,12-13,16-17H,8-9,11H2,1-4H3.
What are the key properties of 2-propan-2-yl-1-(3-propan-2-ylphenyl)piperazine?
2-propan-2-yl-1-(3-propan-2-ylphenyl)piperazine has a molecular weight of 246.40 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-1-(3-propan-2-ylphenyl)piperazine is sourced from PubChem (CID 64938811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).