(2-bromophenyl)-(4-phenylpiperazin-1-yl)methanone

C17H17BrN2O — CID 749128

IUPAC(2-bromophenyl)-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(c1ccccc1Br)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C17H17BrN2O/c18-16-9-5-4-8-15(16)17(21)20-12-10-19(11-13-20)14-6-2-1-3-7-14/h1-9H,10-13H2
InChIKeyYFGVKQLXVQJZIP-UHFFFAOYSA-N
MW345.24 g/mol
LogP3.41
Rot. Bonds2

About (2-bromophenyl)-(4-phenylpiperazin-1-yl)methanone

(2-bromophenyl)-(4-phenylpiperazin-1-yl)methanone (PubChem CID 749128) has the molecular formula C17H17BrN2O and a molecular weight of 345.24 g/mol. Its IUPAC name is (2-bromophenyl)-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2-bromophenyl)-(4-phenylpiperazin-1-yl)methanone
PubChem CID749128
Molecular FormulaC17H17BrN2O
Molecular Weight345.24 g/mol
Exact Mass344.05
IUPAC Name(2-bromophenyl)-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(c1ccccc1Br)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C17H17BrN2O/c18-16-9-5-4-8-15(16)17(21)20-12-10-19(11-13-20)14-6-2-1-3-7-14/h1-9H,10-13H2
InChIKeyYFGVKQLXVQJZIP-UHFFFAOYSA-N
XLogP3.41
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.24
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of (2-bromophenyl)-(4-phenylpiperazin-1-yl)methanone (CID 749128) is (2-bromophenyl)-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for (2-bromophenyl)-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for (2-bromophenyl)-(4-phenylpiperazin-1-yl)methanone is O=C(c1ccccc1Br)N1CCN(c2ccccc2)CC1.
What is the InChIKey of (2-bromophenyl)-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is YFGVKQLXVQJZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O/c18-16-9-5-4-8-15(16)17(21)20-12-10-19(11-13-20)14-6-2-1-3-7-14/h1-9H,10-13H2.
What are the key properties of (2-bromophenyl)-(4-phenylpiperazin-1-yl)methanone?
(2-bromophenyl)-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 345.24 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl)-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 749128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).