1-[(4-tert-butylphenyl)methyl]-2-(2-methylpropyl)piperazine

C19H32N2 — CID 64844274

IUPAC1-[(4-tert-butylphenyl)methyl]-2-(2-methylpropyl)piperazine
SMILESCC(C)CC1CNCCN1Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H32N2/c1-15(2)12-18-13-20-10-11-21(18)14-16-6-8-17(9-7-16)19(3,4)5/h6-9,15,18,20H,10-14H2,1-5H3
InChIKeyIIFHKTBIUUBMEA-UHFFFAOYSA-N
MW288.48 g/mol
LogP3.80
Rot. Bonds4

About 1-[(4-tert-butylphenyl)methyl]-2-(2-methylpropyl)piperazine

1-[(4-tert-butylphenyl)methyl]-2-(2-methylpropyl)piperazine (PubChem CID 64844274) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 1-[(4-tert-butylphenyl)methyl]-2-(2-methylpropyl)piperazine.

Molecular Properties

Compound Name1-[(4-tert-butylphenyl)methyl]-2-(2-methylpropyl)piperazine
PubChem CID64844274
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name1-[(4-tert-butylphenyl)methyl]-2-(2-methylpropyl)piperazine
SMILESCC(C)CC1CNCCN1Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H32N2/c1-15(2)12-18-13-20-10-11-21(18)14-16-6-8-17(9-7-16)19(3,4)5/h6-9,15,18,20H,10-14H2,1-5H3
InChIKeyIIFHKTBIUUBMEA-UHFFFAOYSA-N
XLogP3.80
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-tert-butylphenyl)methyl]-2-(2-methylpropyl)piperazine?
The IUPAC name of 1-[(4-tert-butylphenyl)methyl]-2-(2-methylpropyl)piperazine (CID 64844274) is 1-[(4-tert-butylphenyl)methyl]-2-(2-methylpropyl)piperazine.
What is the SMILES notation for 1-[(4-tert-butylphenyl)methyl]-2-(2-methylpropyl)piperazine?
The canonical SMILES for 1-[(4-tert-butylphenyl)methyl]-2-(2-methylpropyl)piperazine is CC(C)CC1CNCCN1Cc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-[(4-tert-butylphenyl)methyl]-2-(2-methylpropyl)piperazine?
The InChIKey is IIFHKTBIUUBMEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-15(2)12-18-13-20-10-11-21(18)14-16-6-8-17(9-7-16)19(3,4)5/h6-9,15,18,20H,10-14H2,1-5H3.
What are the key properties of 1-[(4-tert-butylphenyl)methyl]-2-(2-methylpropyl)piperazine?
1-[(4-tert-butylphenyl)methyl]-2-(2-methylpropyl)piperazine has a molecular weight of 288.48 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-tert-butylphenyl)methyl]-2-(2-methylpropyl)piperazine is sourced from PubChem (CID 64844274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).