(5-bromo-2-hydroxyphenyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone

C18H19BrN2O2 — CID 112802623

IUPAC(5-bromo-2-hydroxyphenyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2cc(Br)ccc2O)C(c2ccccc2)C1
InChIInChI=1S/C18H19BrN2O2/c1-20-9-10-21(16(12-20)13-5-3-2-4-6-13)18(23)15-11-14(19)7-8-17(15)22/h2-8,11,16,22H,9-10,12H2,1H3
InChIKeySNNPRLQMLNBOPP-UHFFFAOYSA-N
MW375.27 g/mol
LogP3.28
Rot. Bonds2

About (5-bromo-2-hydroxyphenyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone

(5-bromo-2-hydroxyphenyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone (PubChem CID 112802623) has the molecular formula C18H19BrN2O2 and a molecular weight of 375.27 g/mol. Its IUPAC name is (5-bromo-2-hydroxyphenyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(5-bromo-2-hydroxyphenyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone
PubChem CID112802623
Molecular FormulaC18H19BrN2O2
Molecular Weight375.27 g/mol
Exact Mass374.06
IUPAC Name(5-bromo-2-hydroxyphenyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2cc(Br)ccc2O)C(c2ccccc2)C1
InChIInChI=1S/C18H19BrN2O2/c1-20-9-10-21(16(12-20)13-5-3-2-4-6-13)18(23)15-11-14(19)7-8-17(15)22/h2-8,11,16,22H,9-10,12H2,1H3
InChIKeySNNPRLQMLNBOPP-UHFFFAOYSA-N
XLogP3.28
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.27
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-hydroxyphenyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone?
The IUPAC name of (5-bromo-2-hydroxyphenyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone (CID 112802623) is (5-bromo-2-hydroxyphenyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for (5-bromo-2-hydroxyphenyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone?
The canonical SMILES for (5-bromo-2-hydroxyphenyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone is CN1CCN(C(=O)c2cc(Br)ccc2O)C(c2ccccc2)C1.
What is the InChIKey of (5-bromo-2-hydroxyphenyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone?
The InChIKey is SNNPRLQMLNBOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O2/c1-20-9-10-21(16(12-20)13-5-3-2-4-6-13)18(23)15-11-14(19)7-8-17(15)22/h2-8,11,16,22H,9-10,12H2,1H3.
What are the key properties of (5-bromo-2-hydroxyphenyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone?
(5-bromo-2-hydroxyphenyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone has a molecular weight of 375.27 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-hydroxyphenyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 112802623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).