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

Related Compounds

N-(3-bromophenyl)-1-phenethyl-piperidin-4-amine
CID 52934003
1-(m-Tolyl)piperazine
CID 83111
2-Methyl-1-(m-tolyl)piperazine
CID 2723804
N-(4-bromo-3-methylphenyl)-2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
CID 4879603
N-(4-Bromo-3-methyl-phenyl)-3-(4-methyl-piperidin-1-yl)-propionamide
CID 23724258
N-(4-Bromo-3-methyl-phenyl)-3-(4-methyl-piperazin-1-yl)-propionamide
CID 24747079
Cambridge id 6553893
CID 1149599
N-(4-bromo-3-methylphenyl)-3-(1-piperidinyl)propanamide
CID 739905
US10233152, Example 33
CID 129279721
1-(4-Bromophenyl)piperazine
CID 2735629
N-(4-Bromo-3-methyl-phenyl)-3-(4-ethyl-piperazin-1-yl)-propionamide
CID 2901268
N-(4-bromo-3-methylphenyl)-3-[4-(3-phenyl-2-propen-1-yl)-1-piperazinyl]propanamide hydrochloride
CID 5730786

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).