1-(4-bromo-3-methylphenyl)-5,5-dimethyl-2-propan-2-ylpiperazine

C16H25BrN2 — CID 64935073

IUPAC1-(4-bromo-3-methylphenyl)-5,5-dimethyl-2-propan-2-ylpiperazine
SMILESCc1cc(N2CC(C)(C)NCC2C(C)C)ccc1Br
InChIInChI=1S/C16H25BrN2/c1-11(2)15-9-18-16(4,5)10-19(15)13-6-7-14(17)12(3)8-13/h6-8,11,15,18H,9-10H2,1-5H3
InChIKeyMQTWHCLBWHGVCD-UHFFFAOYSA-N
MW325.29 g/mol
LogP3.97
Rot. Bonds2

About 1-(4-bromo-3-methylphenyl)-5,5-dimethyl-2-propan-2-ylpiperazine

1-(4-bromo-3-methylphenyl)-5,5-dimethyl-2-propan-2-ylpiperazine (PubChem CID 64935073) has the molecular formula C16H25BrN2 and a molecular weight of 325.29 g/mol. Its IUPAC name is 1-(4-bromo-3-methylphenyl)-5,5-dimethyl-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-(4-bromo-3-methylphenyl)-5,5-dimethyl-2-propan-2-ylpiperazine
PubChem CID64935073
Molecular FormulaC16H25BrN2
Molecular Weight325.29 g/mol
Exact Mass324.12
IUPAC Name1-(4-bromo-3-methylphenyl)-5,5-dimethyl-2-propan-2-ylpiperazine
SMILESCc1cc(N2CC(C)(C)NCC2C(C)C)ccc1Br
InChIInChI=1S/C16H25BrN2/c1-11(2)15-9-18-16(4,5)10-19(15)13-6-7-14(17)12(3)8-13/h6-8,11,15,18H,9-10H2,1-5H3
InChIKeyMQTWHCLBWHGVCD-UHFFFAOYSA-N
XLogP3.97
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-bromo-3-methylphenyl)-5,5-dimethyl-2-propan-2-ylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-methylphenyl)-5,5-dimethyl-2-propan-2-ylpiperazine?
The IUPAC name of 1-(4-bromo-3-methylphenyl)-5,5-dimethyl-2-propan-2-ylpiperazine (CID 64935073) is 1-(4-bromo-3-methylphenyl)-5,5-dimethyl-2-propan-2-ylpiperazine.
What is the SMILES notation for 1-(4-bromo-3-methylphenyl)-5,5-dimethyl-2-propan-2-ylpiperazine?
The canonical SMILES for 1-(4-bromo-3-methylphenyl)-5,5-dimethyl-2-propan-2-ylpiperazine is Cc1cc(N2CC(C)(C)NCC2C(C)C)ccc1Br.
What is the InChIKey of 1-(4-bromo-3-methylphenyl)-5,5-dimethyl-2-propan-2-ylpiperazine?
The InChIKey is MQTWHCLBWHGVCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2/c1-11(2)15-9-18-16(4,5)10-19(15)13-6-7-14(17)12(3)8-13/h6-8,11,15,18H,9-10H2,1-5H3.
What are the key properties of 1-(4-bromo-3-methylphenyl)-5,5-dimethyl-2-propan-2-ylpiperazine?
1-(4-bromo-3-methylphenyl)-5,5-dimethyl-2-propan-2-ylpiperazine has a molecular weight of 325.29 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-methylphenyl)-5,5-dimethyl-2-propan-2-ylpiperazine is sourced from PubChem (CID 64935073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).