1-[4-[(R)-(4-bromophenyl)-phenylmethyl]piperazin-1-yl]-2-phenylethanone

C25H25BrN2O — CID 92768650

IUPAC1-[4-[(R)-(4-bromophenyl)-phenylmethyl]piperazin-1-yl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)N1CCN([C@H](c2ccccc2)c2ccc(Br)cc2)CC1
InChIInChI=1S/C25H25BrN2O/c26-23-13-11-22(12-14-23)25(21-9-5-2-6-10-21)28-17-15-27(16-18-28)24(29)19-20-7-3-1-4-8-20/h1-14,25H,15-19H2/t25-/m1/s1
InChIKeyAZEWOFOTUDPBTH-RUZDIDTESA-N
MW449.39 g/mol
LogP4.93
Rot. Bonds5

About 1-[4-[(R)-(4-bromophenyl)-phenylmethyl]piperazin-1-yl]-2-phenylethanone

1-[4-[(R)-(4-bromophenyl)-phenylmethyl]piperazin-1-yl]-2-phenylethanone (PubChem CID 92768650) has the molecular formula C25H25BrN2O and a molecular weight of 449.39 g/mol. Its IUPAC name is 1-[4-[(R)-(4-bromophenyl)-phenylmethyl]piperazin-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[4-[(R)-(4-bromophenyl)-phenylmethyl]piperazin-1-yl]-2-phenylethanone
PubChem CID92768650
Molecular FormulaC25H25BrN2O
Molecular Weight449.39 g/mol
Exact Mass448.12
IUPAC Name1-[4-[(R)-(4-bromophenyl)-phenylmethyl]piperazin-1-yl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)N1CCN([C@H](c2ccccc2)c2ccc(Br)cc2)CC1
InChIInChI=1S/C25H25BrN2O/c26-23-13-11-22(12-14-23)25(21-9-5-2-6-10-21)28-17-15-27(16-18-28)24(29)19-20-7-3-1-4-8-20/h1-14,25H,15-19H2/t25-/m1/s1
InChIKeyAZEWOFOTUDPBTH-RUZDIDTESA-N
XLogP4.93
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.39
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[(R)-(4-bromophenyl)-phenylmethyl]piperazin-1-yl]-2-thiophen-2-ylethanone
CID 92769392
1-(4-benzhydrylpiperazin-1-yl)-2-bromoethanone
CID 86008397
1-(4-benzhydrylpiperazin-1-yl)-2-(4-bromophenoxy)ethanone;hydrochloride
CID 2893953
(2R)-1-[4-[(S)-(4-bromophenyl)-phenylmethyl]piperazin-1-yl]-2-phenylbutan-1-one
CID 92769934
(E)-1-(4-benzhydrylpiperazin-1-yl)-3-(4-bromophenyl)prop-2-en-1-one
CID 1009700
1-[4-[(S)-(4-bromophenyl)-phenylmethyl]piperazin-1-yl]-2-ethylbutan-1-one
CID 92760743
1-(4-benzhydrylpiperazin-1-yl)-3-phenylpropan-1-one
CID 2849742
2-[4-[(R)-(4-bromophenyl)-phenylmethyl]piperazin-1-yl]acetic acid;dihydrochloride
CID 68930763
4-benzhydryl-N-[2-(4-bromophenyl)ethyl]piperazine-1-carboxamide
CID 108902253
1-(4-benzhydrylpiperazin-1-yl)-3,3-diphenylpropan-1-one;hydrochloride
CID 119057587
2-amino-1-(4-benzhydrylpiperazin-1-yl)ethanone;dihydrochloride
CID 119826687
[4-[(4-bromophenyl)-phenylmethyl]piperazin-1-yl]-(4-fluorophenyl)methanone
CID 46100068

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(R)-(4-bromophenyl)-phenylmethyl]piperazin-1-yl]-2-phenylethanone?
The IUPAC name of 1-[4-[(R)-(4-bromophenyl)-phenylmethyl]piperazin-1-yl]-2-phenylethanone (CID 92768650) is 1-[4-[(R)-(4-bromophenyl)-phenylmethyl]piperazin-1-yl]-2-phenylethanone.
What is the SMILES notation for 1-[4-[(R)-(4-bromophenyl)-phenylmethyl]piperazin-1-yl]-2-phenylethanone?
The canonical SMILES for 1-[4-[(R)-(4-bromophenyl)-phenylmethyl]piperazin-1-yl]-2-phenylethanone is O=C(Cc1ccccc1)N1CCN([C@H](c2ccccc2)c2ccc(Br)cc2)CC1.
What is the InChIKey of 1-[4-[(R)-(4-bromophenyl)-phenylmethyl]piperazin-1-yl]-2-phenylethanone?
The InChIKey is AZEWOFOTUDPBTH-RUZDIDTESA-N. The full InChI is InChI=1S/C25H25BrN2O/c26-23-13-11-22(12-14-23)25(21-9-5-2-6-10-21)28-17-15-27(16-18-28)24(29)19-20-7-3-1-4-8-20/h1-14,25H,15-19H2/t25-/m1/s1.
What are the key properties of 1-[4-[(R)-(4-bromophenyl)-phenylmethyl]piperazin-1-yl]-2-phenylethanone?
1-[4-[(R)-(4-bromophenyl)-phenylmethyl]piperazin-1-yl]-2-phenylethanone has a molecular weight of 449.39 g/mol, XLogP of 4.93, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(R)-(4-bromophenyl)-phenylmethyl]piperazin-1-yl]-2-phenylethanone is sourced from PubChem (CID 92768650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).