1-(4-bromophenyl)-5-cyclopropyl-5-methyl-2-propan-2-ylpiperazine

C17H25BrN2 — CID 64933548

IUPAC1-(4-bromophenyl)-5-cyclopropyl-5-methyl-2-propan-2-ylpiperazine
SMILESCC(C)C1CNC(C)(C2CC2)CN1c1ccc(Br)cc1
InChIInChI=1S/C17H25BrN2/c1-12(2)16-10-19-17(3,13-4-5-13)11-20(16)15-8-6-14(18)7-9-15/h6-9,12-13,16,19H,4-5,10-11H2,1-3H3
InChIKeyXDQOCUTVVRHLKY-UHFFFAOYSA-N
MW337.31 g/mol
LogP4.05
Rot. Bonds3

About 1-(4-bromophenyl)-5-cyclopropyl-5-methyl-2-propan-2-ylpiperazine

1-(4-bromophenyl)-5-cyclopropyl-5-methyl-2-propan-2-ylpiperazine (PubChem CID 64933548) has the molecular formula C17H25BrN2 and a molecular weight of 337.31 g/mol. Its IUPAC name is 1-(4-bromophenyl)-5-cyclopropyl-5-methyl-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-(4-bromophenyl)-5-cyclopropyl-5-methyl-2-propan-2-ylpiperazine
PubChem CID64933548
Molecular FormulaC17H25BrN2
Molecular Weight337.31 g/mol
Exact Mass336.12
IUPAC Name1-(4-bromophenyl)-5-cyclopropyl-5-methyl-2-propan-2-ylpiperazine
SMILESCC(C)C1CNC(C)(C2CC2)CN1c1ccc(Br)cc1
InChIInChI=1S/C17H25BrN2/c1-12(2)16-10-19-17(3,13-4-5-13)11-20(16)15-8-6-14(18)7-9-15/h6-9,12-13,16,19H,4-5,10-11H2,1-3H3
InChIKeyXDQOCUTVVRHLKY-UHFFFAOYSA-N
XLogP4.05
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.31
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-cyclopropyl-1-(4-fluorophenyl)-5-methyl-2-propan-2-ylpiperazine
CID 64931009
4-(4-bromophenyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
CID 64935285
1-[(2-bromophenyl)methyl]-5-cyclopropyl-5-methyl-2-propan-2-ylpiperazine
CID 64877485
5-cyclopropyl-2,5-dimethyl-1-phenylpiperazine
CID 64932614
1-(4-methoxyphenyl)-5,5-dimethyl-2-propan-2-ylpiperazine
CID 64932532
1-[1-(4-bromophenyl)ethyl]-3-cyclopropyl-3-methylpiperazine
CID 64926142
1-(4-bromo-3-methylphenyl)-5,5-dimethyl-2-propan-2-ylpiperazine
CID 64935073
1-(2,4-dibromophenyl)-5,5-dimethyl-2-propan-2-ylpiperazine
CID 64946247
1-(4-bromo-3-chlorophenyl)-5-cyclopropyl-2-ethyl-5-methylpiperazine
CID 107617330
5-cyclopropyl-5-methyl-1-[(3-methylphenyl)methyl]-2-propan-2-ylpiperazine
CID 64876545
5-cyclopropyl-1-[(2-fluorophenyl)methyl]-5-methyl-2-propan-2-ylpiperazine
CID 64877110
5,5-diethyl-1-(4-ethylphenyl)-2-propan-2-ylpiperazine
CID 64931417

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-5-cyclopropyl-5-methyl-2-propan-2-ylpiperazine?
The IUPAC name of 1-(4-bromophenyl)-5-cyclopropyl-5-methyl-2-propan-2-ylpiperazine (CID 64933548) is 1-(4-bromophenyl)-5-cyclopropyl-5-methyl-2-propan-2-ylpiperazine.
What is the SMILES notation for 1-(4-bromophenyl)-5-cyclopropyl-5-methyl-2-propan-2-ylpiperazine?
The canonical SMILES for 1-(4-bromophenyl)-5-cyclopropyl-5-methyl-2-propan-2-ylpiperazine is CC(C)C1CNC(C)(C2CC2)CN1c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-5-cyclopropyl-5-methyl-2-propan-2-ylpiperazine?
The InChIKey is XDQOCUTVVRHLKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrN2/c1-12(2)16-10-19-17(3,13-4-5-13)11-20(16)15-8-6-14(18)7-9-15/h6-9,12-13,16,19H,4-5,10-11H2,1-3H3.
What are the key properties of 1-(4-bromophenyl)-5-cyclopropyl-5-methyl-2-propan-2-ylpiperazine?
1-(4-bromophenyl)-5-cyclopropyl-5-methyl-2-propan-2-ylpiperazine has a molecular weight of 337.31 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-5-cyclopropyl-5-methyl-2-propan-2-ylpiperazine is sourced from PubChem (CID 64933548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).