[2-[bis(4-hydroxyphenyl)methyl]phenyl]-(4-methylpiperazin-1-yl)methanone

C25H26N2O3 — CID 19938119

IUPAC[2-[bis(4-hydroxyphenyl)methyl]phenyl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2ccccc2C(c2ccc(O)cc2)c2ccc(O)cc2)CC1
InChIInChI=1S/C25H26N2O3/c1-26-14-16-27(17-15-26)25(30)23-5-3-2-4-22(23)24(18-6-10-20(28)11-7-18)19-8-12-21(29)13-9-19/h2-13,24,28-29H,14-17H2,1H3
InChIKeyXKCMPVBOEPCYOU-UHFFFAOYSA-N
MW402.49 g/mol
LogP3.67
Rot. Bonds4

About [2-[bis(4-hydroxyphenyl)methyl]phenyl]-(4-methylpiperazin-1-yl)methanone

[2-[bis(4-hydroxyphenyl)methyl]phenyl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 19938119) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is [2-[bis(4-hydroxyphenyl)methyl]phenyl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-[bis(4-hydroxyphenyl)methyl]phenyl]-(4-methylpiperazin-1-yl)methanone
PubChem CID19938119
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC Name[2-[bis(4-hydroxyphenyl)methyl]phenyl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2ccccc2C(c2ccc(O)cc2)c2ccc(O)cc2)CC1
InChIInChI=1S/C25H26N2O3/c1-26-14-16-27(17-15-26)25(30)23-5-3-2-4-22(23)24(18-6-10-20(28)11-7-18)19-8-12-21(29)13-9-19/h2-13,24,28-29H,14-17H2,1H3
InChIKeyXKCMPVBOEPCYOU-UHFFFAOYSA-N
XLogP3.67
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze [2-[bis(4-hydroxyphenyl)methyl]phenyl]-(4-methylpiperazin-1-yl)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

(2-methylphenyl)-(4-methylpiperazin-1-yl)methanone
CID 904148
2-[2-(4-methylpiperazine-1-carbonyl)phenyl]acetic acid
CID 114199768
piperazin-1-yl-(2-propan-2-ylphenyl)methanone
CID 82510229
(2,5-dihydroxyphenyl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 107722294
(4-methylpiperazin-1-yl)-(2-phenylsulfanylphenyl)methanone
CID 827133
N-[2-(4-methylpiperazine-1-carbonyl)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 54781982
(2-hydroxy-3-methylphenyl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 28775446
[2-(4-methylpiperazine-1-carbonyl)phenyl] acetate
CID 3364614
(3-amino-2-hydroxyphenyl)-(4-methylpiperazin-1-yl)methanone;ethane
CID 143389345
N-[2-(4-methylpiperazine-1-carbonyl)phenyl]cyclohexanecarboxamide
CID 4943642
2-(4-methylpiperazine-1-carbonyl)benzoyl azide
CID 162228609
[4-(4-hydroxyphenyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 78777425

Frequently Asked Questions

What is the IUPAC name of [2-[bis(4-hydroxyphenyl)methyl]phenyl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [2-[bis(4-hydroxyphenyl)methyl]phenyl]-(4-methylpiperazin-1-yl)methanone (CID 19938119) is [2-[bis(4-hydroxyphenyl)methyl]phenyl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-[bis(4-hydroxyphenyl)methyl]phenyl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [2-[bis(4-hydroxyphenyl)methyl]phenyl]-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)c2ccccc2C(c2ccc(O)cc2)c2ccc(O)cc2)CC1.
What is the InChIKey of [2-[bis(4-hydroxyphenyl)methyl]phenyl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is XKCMPVBOEPCYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3/c1-26-14-16-27(17-15-26)25(30)23-5-3-2-4-22(23)24(18-6-10-20(28)11-7-18)19-8-12-21(29)13-9-19/h2-13,24,28-29H,14-17H2,1H3.
What are the key properties of [2-[bis(4-hydroxyphenyl)methyl]phenyl]-(4-methylpiperazin-1-yl)methanone?
[2-[bis(4-hydroxyphenyl)methyl]phenyl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 402.49 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[bis(4-hydroxyphenyl)methyl]phenyl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 19938119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).