1-tert-butyl-4-[(4-chlorophenyl)methyl]-2-(2-propan-2-ylphenyl)piperazine

C24H33ClN2 — CID 177108465

IUPAC1-tert-butyl-4-[(4-chlorophenyl)methyl]-2-(2-propan-2-ylphenyl)piperazine
SMILESCC(C)c1ccccc1C1CN(Cc2ccc(Cl)cc2)CCN1C(C)(C)C
InChIInChI=1S/C24H33ClN2/c1-18(2)21-8-6-7-9-22(21)23-17-26(14-15-27(23)24(3,4)5)16-19-10-12-20(25)13-11-19/h6-13,18,23H,14-17H2,1-5H3
InChIKeyKUXVOVAHJXVNNO-UHFFFAOYSA-N
MW385.00 g/mol
LogP6.12
Rot. Bonds4

About 1-tert-butyl-4-[(4-chlorophenyl)methyl]-2-(2-propan-2-ylphenyl)piperazine

1-tert-butyl-4-[(4-chlorophenyl)methyl]-2-(2-propan-2-ylphenyl)piperazine (PubChem CID 177108465) has the molecular formula C24H33ClN2 and a molecular weight of 385.00 g/mol. Its IUPAC name is 1-tert-butyl-4-[(4-chlorophenyl)methyl]-2-(2-propan-2-ylphenyl)piperazine.

Molecular Properties

Compound Name1-tert-butyl-4-[(4-chlorophenyl)methyl]-2-(2-propan-2-ylphenyl)piperazine
PubChem CID177108465
Molecular FormulaC24H33ClN2
Molecular Weight385.00 g/mol
Exact Mass384.23
IUPAC Name1-tert-butyl-4-[(4-chlorophenyl)methyl]-2-(2-propan-2-ylphenyl)piperazine
SMILESCC(C)c1ccccc1C1CN(Cc2ccc(Cl)cc2)CCN1C(C)(C)C
InChIInChI=1S/C24H33ClN2/c1-18(2)21-8-6-7-9-22(21)23-17-26(14-15-27(23)24(3,4)5)16-19-10-12-20(25)13-11-19/h6-13,18,23H,14-17H2,1-5H3
InChIKeyKUXVOVAHJXVNNO-UHFFFAOYSA-N
XLogP6.12
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.00
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[(4-chlorophenyl)methyl]-2-(2-propan-2-ylphenyl)piperazine?
The IUPAC name of 1-tert-butyl-4-[(4-chlorophenyl)methyl]-2-(2-propan-2-ylphenyl)piperazine (CID 177108465) is 1-tert-butyl-4-[(4-chlorophenyl)methyl]-2-(2-propan-2-ylphenyl)piperazine.
What is the SMILES notation for 1-tert-butyl-4-[(4-chlorophenyl)methyl]-2-(2-propan-2-ylphenyl)piperazine?
The canonical SMILES for 1-tert-butyl-4-[(4-chlorophenyl)methyl]-2-(2-propan-2-ylphenyl)piperazine is CC(C)c1ccccc1C1CN(Cc2ccc(Cl)cc2)CCN1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-4-[(4-chlorophenyl)methyl]-2-(2-propan-2-ylphenyl)piperazine?
The InChIKey is KUXVOVAHJXVNNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33ClN2/c1-18(2)21-8-6-7-9-22(21)23-17-26(14-15-27(23)24(3,4)5)16-19-10-12-20(25)13-11-19/h6-13,18,23H,14-17H2,1-5H3.
What are the key properties of 1-tert-butyl-4-[(4-chlorophenyl)methyl]-2-(2-propan-2-ylphenyl)piperazine?
1-tert-butyl-4-[(4-chlorophenyl)methyl]-2-(2-propan-2-ylphenyl)piperazine has a molecular weight of 385.00 g/mol, XLogP of 6.12, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[(4-chlorophenyl)methyl]-2-(2-propan-2-ylphenyl)piperazine is sourced from PubChem (CID 177108465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).