1-[(4-chlorophenyl)methyl]-5,5-dimethyl-2-(2-methylpropyl)piperazine

C17H27ClN2 — CID 64837785

IUPAC1-[(4-chlorophenyl)methyl]-5,5-dimethyl-2-(2-methylpropyl)piperazine
SMILESCC(C)CC1CNC(C)(C)CN1Cc1ccc(Cl)cc1
InChIInChI=1S/C17H27ClN2/c1-13(2)9-16-10-19-17(3,4)12-20(16)11-14-5-7-15(18)8-6-14/h5-8,13,16,19H,9-12H2,1-4H3
InChIKeyDGZOAXLXTJYPSX-UHFFFAOYSA-N
MW294.87 g/mol
LogP3.94
Rot. Bonds4

About 1-[(4-chlorophenyl)methyl]-5,5-dimethyl-2-(2-methylpropyl)piperazine

1-[(4-chlorophenyl)methyl]-5,5-dimethyl-2-(2-methylpropyl)piperazine (PubChem CID 64837785) has the molecular formula C17H27ClN2 and a molecular weight of 294.87 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-5,5-dimethyl-2-(2-methylpropyl)piperazine.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-5,5-dimethyl-2-(2-methylpropyl)piperazine
PubChem CID64837785
Molecular FormulaC17H27ClN2
Molecular Weight294.87 g/mol
Exact Mass294.19
IUPAC Name1-[(4-chlorophenyl)methyl]-5,5-dimethyl-2-(2-methylpropyl)piperazine
SMILESCC(C)CC1CNC(C)(C)CN1Cc1ccc(Cl)cc1
InChIInChI=1S/C17H27ClN2/c1-13(2)9-16-10-19-17(3,4)12-20(16)11-14-5-7-15(18)8-6-14/h5-8,13,16,19H,9-12H2,1-4H3
InChIKeyDGZOAXLXTJYPSX-UHFFFAOYSA-N
XLogP3.94
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 ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-5,5-dimethyl-2-(2-methylpropyl)piperazine?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-5,5-dimethyl-2-(2-methylpropyl)piperazine (CID 64837785) is 1-[(4-chlorophenyl)methyl]-5,5-dimethyl-2-(2-methylpropyl)piperazine.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-5,5-dimethyl-2-(2-methylpropyl)piperazine?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-5,5-dimethyl-2-(2-methylpropyl)piperazine is CC(C)CC1CNC(C)(C)CN1Cc1ccc(Cl)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-5,5-dimethyl-2-(2-methylpropyl)piperazine?
The InChIKey is DGZOAXLXTJYPSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2/c1-13(2)9-16-10-19-17(3,4)12-20(16)11-14-5-7-15(18)8-6-14/h5-8,13,16,19H,9-12H2,1-4H3.
What are the key properties of 1-[(4-chlorophenyl)methyl]-5,5-dimethyl-2-(2-methylpropyl)piperazine?
1-[(4-chlorophenyl)methyl]-5,5-dimethyl-2-(2-methylpropyl)piperazine has a molecular weight of 294.87 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-5,5-dimethyl-2-(2-methylpropyl)piperazine is sourced from PubChem (CID 64837785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).