5-butan-2-yl-1-(2-tert-butylphenyl)-2-methylpiperazine

C19H32N2 — CID 64936488

IUPAC5-butan-2-yl-1-(2-tert-butylphenyl)-2-methylpiperazine
SMILESCCC(C)C1CN(c2ccccc2C(C)(C)C)C(C)CN1
InChIInChI=1S/C19H32N2/c1-7-14(2)17-13-21(15(3)12-20-17)18-11-9-8-10-16(18)19(4,5)6/h8-11,14-15,17,20H,7,12-13H2,1-6H3
InChIKeyHGMBAIPEKPWPJJ-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.20
Rot. Bonds3

About 5-butan-2-yl-1-(2-tert-butylphenyl)-2-methylpiperazine

5-butan-2-yl-1-(2-tert-butylphenyl)-2-methylpiperazine (PubChem CID 64936488) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 5-butan-2-yl-1-(2-tert-butylphenyl)-2-methylpiperazine.

Molecular Properties

Compound Name5-butan-2-yl-1-(2-tert-butylphenyl)-2-methylpiperazine
PubChem CID64936488
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name5-butan-2-yl-1-(2-tert-butylphenyl)-2-methylpiperazine
SMILESCCC(C)C1CN(c2ccccc2C(C)(C)C)C(C)CN1
InChIInChI=1S/C19H32N2/c1-7-14(2)17-13-21(15(3)12-20-17)18-11-9-8-10-16(18)19(4,5)6/h8-11,14-15,17,20H,7,12-13H2,1-6H3
InChIKeyHGMBAIPEKPWPJJ-UHFFFAOYSA-N
XLogP4.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-butan-2-yl-2-methyl-1-[2-(trifluoromethyl)phenyl]piperazine
CID 64951883
5-butan-2-yl-1-(2-fluorophenyl)-2-methylpiperazine
CID 64953705
2-(5-butan-2-yl-2-methylpiperazin-1-yl)-N,N-dimethylaniline
CID 106760888
5-butan-2-yl-1-[2-(difluoromethoxy)phenyl]-2-methylpiperazine
CID 64938638
5-butan-2-yl-1-(2,5-dibromophenyl)-2-methylpiperazine
CID 64939257
5-butan-2-yl-1-(2,3-dihydro-1H-inden-2-yl)-2-methylpiperazine
CID 107854034
5-butan-2-yl-1-(3-chlorophenyl)-2-methylpiperazine
CID 64936737
5-butan-2-yl-1-(2-chloro-6-methylphenyl)-2-methylpiperazine
CID 66254143
5-butan-2-yl-2-methyl-1-[1-(2-methylphenyl)ethyl]piperazine
CID 64939080
1-(5-bromo-4-fluoro-2-methylphenyl)-5-butan-2-yl-2-methylpiperazine
CID 107594278
2-methyl-1-naphthalen-1-yl-5-propan-2-ylpiperazine
CID 64952275
5-butan-2-yl-1-(2-chlorophenyl)-2-ethylpiperazine
CID 64937522

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-1-(2-tert-butylphenyl)-2-methylpiperazine?
The IUPAC name of 5-butan-2-yl-1-(2-tert-butylphenyl)-2-methylpiperazine (CID 64936488) is 5-butan-2-yl-1-(2-tert-butylphenyl)-2-methylpiperazine.
What is the SMILES notation for 5-butan-2-yl-1-(2-tert-butylphenyl)-2-methylpiperazine?
The canonical SMILES for 5-butan-2-yl-1-(2-tert-butylphenyl)-2-methylpiperazine is CCC(C)C1CN(c2ccccc2C(C)(C)C)C(C)CN1.
What is the InChIKey of 5-butan-2-yl-1-(2-tert-butylphenyl)-2-methylpiperazine?
The InChIKey is HGMBAIPEKPWPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-7-14(2)17-13-21(15(3)12-20-17)18-11-9-8-10-16(18)19(4,5)6/h8-11,14-15,17,20H,7,12-13H2,1-6H3.
What are the key properties of 5-butan-2-yl-1-(2-tert-butylphenyl)-2-methylpiperazine?
5-butan-2-yl-1-(2-tert-butylphenyl)-2-methylpiperazine has a molecular weight of 288.48 g/mol, XLogP of 4.20, 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-(2-tert-butylphenyl)-2-methylpiperazine is sourced from PubChem (CID 64936488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).