5-cyclopropyl-1-(2,6-dibromophenyl)-2-propan-2-ylpiperazine

C16H22Br2N2 — CID 107603823

IUPAC5-cyclopropyl-1-(2,6-dibromophenyl)-2-propan-2-ylpiperazine
SMILESCC(C)C1CNC(C2CC2)CN1c1c(Br)cccc1Br
InChIInChI=1S/C16H22Br2N2/c1-10(2)15-8-19-14(11-6-7-11)9-20(15)16-12(17)4-3-5-13(16)18/h3-5,10-11,14-15,19H,6-9H2,1-2H3
InChIKeyWRIGTMVNZFKTHQ-UHFFFAOYSA-N
MW402.17 g/mol
LogP4.42
Rot. Bonds3

About 5-cyclopropyl-1-(2,6-dibromophenyl)-2-propan-2-ylpiperazine

5-cyclopropyl-1-(2,6-dibromophenyl)-2-propan-2-ylpiperazine (PubChem CID 107603823) has the molecular formula C16H22Br2N2 and a molecular weight of 402.17 g/mol. Its IUPAC name is 5-cyclopropyl-1-(2,6-dibromophenyl)-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name5-cyclopropyl-1-(2,6-dibromophenyl)-2-propan-2-ylpiperazine
PubChem CID107603823
Molecular FormulaC16H22Br2N2
Molecular Weight402.17 g/mol
Exact Mass400.01
IUPAC Name5-cyclopropyl-1-(2,6-dibromophenyl)-2-propan-2-ylpiperazine
SMILESCC(C)C1CNC(C2CC2)CN1c1c(Br)cccc1Br
InChIInChI=1S/C16H22Br2N2/c1-10(2)15-8-19-14(11-6-7-11)9-20(15)16-12(17)4-3-5-13(16)18/h3-5,10-11,14-15,19H,6-9H2,1-2H3
InChIKeyWRIGTMVNZFKTHQ-UHFFFAOYSA-N
XLogP4.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.17
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-cyclopropyl-1-(2,6-dibromophenyl)-2-methylpiperazine
CID 107603836
1-(5-bromo-2-fluorophenyl)-5-cyclopropyl-2-propan-2-ylpiperazine
CID 64934453
5-cyclopropyl-2-propan-2-yl-1-(2,4,5-trichlorophenyl)piperazine
CID 64934312
5-cyclopropyl-1-(4-methyl-3-pyridinyl)-2-propan-2-ylpiperazine
CID 64939851
5-cyclopropyl-1-(3,5-dichloro-4-fluorophenyl)-2-propan-2-ylpiperazine
CID 107579965
1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-cyclopropyl-2-propan-2-ylpiperazine
CID 66395287
5-cyclopropyl-1-(5-methyl-3-pyridinyl)-2-propan-2-ylpiperazine
CID 107586923
5-cyclopropyl-1-[1-(2-methylphenyl)ethyl]-2-propan-2-ylpiperazine
CID 64947427
1-[(5-bromo-2-fluorophenyl)methyl]-5-cyclopropyl-2-propan-2-ylpiperazine
CID 64859726
1-[(4-bromothiophen-2-yl)methyl]-5-cyclopropyl-2-propan-2-ylpiperazine
CID 64861648
1-(3-bromo-2-methylphenyl)-5-(2-methylpropyl)-2-propan-2-ylpiperazine
CID 107639844
5-cyclopropyl-1-[2-(2-fluorophenyl)ethyl]-2-propan-2-ylpiperazine
CID 64932196

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-(2,6-dibromophenyl)-2-propan-2-ylpiperazine?
The IUPAC name of 5-cyclopropyl-1-(2,6-dibromophenyl)-2-propan-2-ylpiperazine (CID 107603823) is 5-cyclopropyl-1-(2,6-dibromophenyl)-2-propan-2-ylpiperazine.
What is the SMILES notation for 5-cyclopropyl-1-(2,6-dibromophenyl)-2-propan-2-ylpiperazine?
The canonical SMILES for 5-cyclopropyl-1-(2,6-dibromophenyl)-2-propan-2-ylpiperazine is CC(C)C1CNC(C2CC2)CN1c1c(Br)cccc1Br.
What is the InChIKey of 5-cyclopropyl-1-(2,6-dibromophenyl)-2-propan-2-ylpiperazine?
The InChIKey is WRIGTMVNZFKTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Br2N2/c1-10(2)15-8-19-14(11-6-7-11)9-20(15)16-12(17)4-3-5-13(16)18/h3-5,10-11,14-15,19H,6-9H2,1-2H3.
What are the key properties of 5-cyclopropyl-1-(2,6-dibromophenyl)-2-propan-2-ylpiperazine?
5-cyclopropyl-1-(2,6-dibromophenyl)-2-propan-2-ylpiperazine has a molecular weight of 402.17 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-(2,6-dibromophenyl)-2-propan-2-ylpiperazine is sourced from PubChem (CID 107603823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).