(3R)-1-(3-bromophenyl)-3,5-dimethylpiperazine

C12H17BrN2 — CID 146646153

IUPAC(3R)-1-(3-bromophenyl)-3,5-dimethylpiperazine
SMILESCC1CN(c2cccc(Br)c2)C[C@@H](C)N1
InChIInChI=1S/C12H17BrN2/c1-9-7-15(8-10(2)14-9)12-5-3-4-11(13)6-12/h3-6,9-10,14H,7-8H2,1-2H3/t9-,10?/m1/s1
InChIKeyOKQWTXSKNBLMRO-YHMJZVADSA-N
MW269.19 g/mol
LogP2.64
Rot. Bonds1

About (3R)-1-(3-bromophenyl)-3,5-dimethylpiperazine

(3R)-1-(3-bromophenyl)-3,5-dimethylpiperazine (PubChem CID 146646153) has the molecular formula C12H17BrN2 and a molecular weight of 269.19 g/mol. Its IUPAC name is (3R)-1-(3-bromophenyl)-3,5-dimethylpiperazine.

Molecular Properties

Compound Name(3R)-1-(3-bromophenyl)-3,5-dimethylpiperazine
PubChem CID146646153
Molecular FormulaC12H17BrN2
Molecular Weight269.19 g/mol
Exact Mass268.06
IUPAC Name(3R)-1-(3-bromophenyl)-3,5-dimethylpiperazine
SMILESCC1CN(c2cccc(Br)c2)C[C@@H](C)N1
InChIInChI=1S/C12H17BrN2/c1-9-7-15(8-10(2)14-9)12-5-3-4-11(13)6-12/h3-6,9-10,14H,7-8H2,1-2H3/t9-,10?/m1/s1
InChIKeyOKQWTXSKNBLMRO-YHMJZVADSA-N
XLogP2.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.19
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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(3S,5R)-1-(3-bromo-4-chlorophenyl)-3,5-dimethylpiperazine;hydrochloride
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1-[5-[(3-bromophenyl)methyl]-1H-1,2,4-triazol-3-yl]-3,5-dimethylpiperazine
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Frequently Asked Questions

What is the IUPAC name of (3R)-1-(3-bromophenyl)-3,5-dimethylpiperazine?
The IUPAC name of (3R)-1-(3-bromophenyl)-3,5-dimethylpiperazine (CID 146646153) is (3R)-1-(3-bromophenyl)-3,5-dimethylpiperazine.
What is the SMILES notation for (3R)-1-(3-bromophenyl)-3,5-dimethylpiperazine?
The canonical SMILES for (3R)-1-(3-bromophenyl)-3,5-dimethylpiperazine is CC1CN(c2cccc(Br)c2)C[C@@H](C)N1.
What is the InChIKey of (3R)-1-(3-bromophenyl)-3,5-dimethylpiperazine?
The InChIKey is OKQWTXSKNBLMRO-YHMJZVADSA-N. The full InChI is InChI=1S/C12H17BrN2/c1-9-7-15(8-10(2)14-9)12-5-3-4-11(13)6-12/h3-6,9-10,14H,7-8H2,1-2H3/t9-,10?/m1/s1.
What are the key properties of (3R)-1-(3-bromophenyl)-3,5-dimethylpiperazine?
(3R)-1-(3-bromophenyl)-3,5-dimethylpiperazine has a molecular weight of 269.19 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(3-bromophenyl)-3,5-dimethylpiperazine is sourced from PubChem (CID 146646153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).