(4-benzhydrylpiperazin-1-yl)-[3-bromo-4-(2-phenylethoxy)phenyl]methanone

C32H31BrN2O2 — CID 17072790

IUPAC(4-benzhydrylpiperazin-1-yl)-[3-bromo-4-(2-phenylethoxy)phenyl]methanone
SMILESO=C(c1ccc(OCCc2ccccc2)c(Br)c1)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C32H31BrN2O2/c33-29-24-28(16-17-30(29)37-23-18-25-10-4-1-5-11-25)32(36)35-21-19-34(20-22-35)31(26-12-6-2-7-13-26)27-14-8-3-9-15-27/h1-17,24,31H,18-23H2
InChIKeyKDTHSPSVQBLRNU-UHFFFAOYSA-N
MW555.52 g/mol
LogP6.62
Rot. Bonds8

About (4-benzhydrylpiperazin-1-yl)-[3-bromo-4-(2-phenylethoxy)phenyl]methanone

(4-benzhydrylpiperazin-1-yl)-[3-bromo-4-(2-phenylethoxy)phenyl]methanone (PubChem CID 17072790) has the molecular formula C32H31BrN2O2 and a molecular weight of 555.52 g/mol. Its IUPAC name is (4-benzhydrylpiperazin-1-yl)-[3-bromo-4-(2-phenylethoxy)phenyl]methanone.

Molecular Properties

Compound Name(4-benzhydrylpiperazin-1-yl)-[3-bromo-4-(2-phenylethoxy)phenyl]methanone
PubChem CID17072790
Molecular FormulaC32H31BrN2O2
Molecular Weight555.52 g/mol
Exact Mass554.16
IUPAC Name(4-benzhydrylpiperazin-1-yl)-[3-bromo-4-(2-phenylethoxy)phenyl]methanone
SMILESO=C(c1ccc(OCCc2ccccc2)c(Br)c1)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C32H31BrN2O2/c33-29-24-28(16-17-30(29)37-23-18-25-10-4-1-5-11-25)32(36)35-21-19-34(20-22-35)31(26-12-6-2-7-13-26)27-14-8-3-9-15-27/h1-17,24,31H,18-23H2
InChIKeyKDTHSPSVQBLRNU-UHFFFAOYSA-N
XLogP6.62
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.52
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4-benzhydrylpiperazin-1-yl)-[3-bromo-4-(2-phenylethoxy)phenyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[3-bromo-4-(2-methoxyethoxy)benzoyl]piperazin-1-yl]-[3-bromo-4-(2-methoxyethoxy)phenyl]methanone
CID 17357131
azepan-1-yl-(3-bromo-4-phenylmethoxyphenyl)methanone
CID 54793468
(4-benzylpiperazin-1-yl)-(3-bromo-4-hexoxyphenyl)methanone
CID 17174712
(4-benzhydrylpiperazin-1-yl)-naphthalen-2-ylmethanone
CID 1343328
[3-bromo-4-(3-methylbutoxy)phenyl]-(4-phenylpiperazin-1-yl)methanone
CID 17175873
N-[[2-(4-benzhydrylpiperazine-1-carbonyl)phenyl]carbamothioyl]-3-bromo-4-(3-methylbutoxy)benzamide
CID 17339758
N-(4-benzylpiperazine-1-carbothioyl)-3-bromo-4-(2-phenylethoxy)benzamide
CID 17174814
4-[3-bromo-4-(2-phenylethoxy)benzoyl]oxybenzoic acid
CID 54854543
3-bromo-N-phenyl-4-(2-phenylethoxy)benzamide
CID 17072648
[4-[(4-bromophenyl)-phenylmethyl]piperazin-1-yl]-(4-fluorophenyl)methanone
CID 46100068
(4-benzhydrylpiperazin-1-yl)-quinoxalin-6-ylmethanone
CID 9337084
(4-benzhydrylpiperazin-1-yl)-[3-(2-phenylethynyl)phenyl]methanone
CID 2872605

Frequently Asked Questions

What is the IUPAC name of (4-benzhydrylpiperazin-1-yl)-[3-bromo-4-(2-phenylethoxy)phenyl]methanone?
The IUPAC name of (4-benzhydrylpiperazin-1-yl)-[3-bromo-4-(2-phenylethoxy)phenyl]methanone (CID 17072790) is (4-benzhydrylpiperazin-1-yl)-[3-bromo-4-(2-phenylethoxy)phenyl]methanone.
What is the SMILES notation for (4-benzhydrylpiperazin-1-yl)-[3-bromo-4-(2-phenylethoxy)phenyl]methanone?
The canonical SMILES for (4-benzhydrylpiperazin-1-yl)-[3-bromo-4-(2-phenylethoxy)phenyl]methanone is O=C(c1ccc(OCCc2ccccc2)c(Br)c1)N1CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of (4-benzhydrylpiperazin-1-yl)-[3-bromo-4-(2-phenylethoxy)phenyl]methanone?
The InChIKey is KDTHSPSVQBLRNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31BrN2O2/c33-29-24-28(16-17-30(29)37-23-18-25-10-4-1-5-11-25)32(36)35-21-19-34(20-22-35)31(26-12-6-2-7-13-26)27-14-8-3-9-15-27/h1-17,24,31H,18-23H2.
What are the key properties of (4-benzhydrylpiperazin-1-yl)-[3-bromo-4-(2-phenylethoxy)phenyl]methanone?
(4-benzhydrylpiperazin-1-yl)-[3-bromo-4-(2-phenylethoxy)phenyl]methanone has a molecular weight of 555.52 g/mol, XLogP of 6.62, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzhydrylpiperazin-1-yl)-[3-bromo-4-(2-phenylethoxy)phenyl]methanone is sourced from PubChem (CID 17072790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).