[(2R)-2-benzylpiperazin-1-yl]-(2-phenylphenyl)methanone

C24H24N2O — CID 25265687

IUPAC[(2R)-2-benzylpiperazin-1-yl]-(2-phenylphenyl)methanone
SMILESO=C(c1ccccc1-c1ccccc1)N1CCNC[C@H]1Cc1ccccc1
InChIInChI=1S/C24H24N2O/c27-24(23-14-8-7-13-22(23)20-11-5-2-6-12-20)26-16-15-25-18-21(26)17-19-9-3-1-4-10-19/h1-14,21,25H,15-18H2/t21-/m1/s1
InChIKeyRTTYFEQWEAWYNI-OAQYLSRUSA-N
MW356.47 g/mol
LogP4.01
Rot. Bonds4

About [(2R)-2-benzylpiperazin-1-yl]-(2-phenylphenyl)methanone

[(2R)-2-benzylpiperazin-1-yl]-(2-phenylphenyl)methanone (PubChem CID 25265687) has the molecular formula C24H24N2O and a molecular weight of 356.47 g/mol. Its IUPAC name is [(2R)-2-benzylpiperazin-1-yl]-(2-phenylphenyl)methanone.

Molecular Properties

Compound Name[(2R)-2-benzylpiperazin-1-yl]-(2-phenylphenyl)methanone
PubChem CID25265687
Molecular FormulaC24H24N2O
Molecular Weight356.47 g/mol
Exact Mass356.19
IUPAC Name[(2R)-2-benzylpiperazin-1-yl]-(2-phenylphenyl)methanone
SMILESO=C(c1ccccc1-c1ccccc1)N1CCNC[C@H]1Cc1ccccc1
InChIInChI=1S/C24H24N2O/c27-24(23-14-8-7-13-22(23)20-11-5-2-6-12-20)26-16-15-25-18-21(26)17-19-9-3-1-4-10-19/h1-14,21,25H,15-18H2/t21-/m1/s1
InChIKeyRTTYFEQWEAWYNI-OAQYLSRUSA-N
XLogP4.01
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2R)-2-benzylpiperazin-1-yl]-(2-phenylphenyl)methanone?
The IUPAC name of [(2R)-2-benzylpiperazin-1-yl]-(2-phenylphenyl)methanone (CID 25265687) is [(2R)-2-benzylpiperazin-1-yl]-(2-phenylphenyl)methanone.
What is the SMILES notation for [(2R)-2-benzylpiperazin-1-yl]-(2-phenylphenyl)methanone?
The canonical SMILES for [(2R)-2-benzylpiperazin-1-yl]-(2-phenylphenyl)methanone is O=C(c1ccccc1-c1ccccc1)N1CCNC[C@H]1Cc1ccccc1.
What is the InChIKey of [(2R)-2-benzylpiperazin-1-yl]-(2-phenylphenyl)methanone?
The InChIKey is RTTYFEQWEAWYNI-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H24N2O/c27-24(23-14-8-7-13-22(23)20-11-5-2-6-12-20)26-16-15-25-18-21(26)17-19-9-3-1-4-10-19/h1-14,21,25H,15-18H2/t21-/m1/s1.
What are the key properties of [(2R)-2-benzylpiperazin-1-yl]-(2-phenylphenyl)methanone?
[(2R)-2-benzylpiperazin-1-yl]-(2-phenylphenyl)methanone has a molecular weight of 356.47 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-benzylpiperazin-1-yl]-(2-phenylphenyl)methanone is sourced from PubChem (CID 25265687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).