2-[[4-(4-methoxyphenyl)piperazin-1-yl]-phenylmethyl]phenol

C24H26N2O2 — CID 174990296

IUPAC2-[[4-(4-methoxyphenyl)piperazin-1-yl]-phenylmethyl]phenol
SMILESCOc1ccc(N2CCN(C(c3ccccc3)c3ccccc3O)CC2)cc1
InChIInChI=1S/C24H26N2O2/c1-28-21-13-11-20(12-14-21)25-15-17-26(18-16-25)24(19-7-3-2-4-8-19)22-9-5-6-10-23(22)27/h2-14,24,27H,15-18H2,1H3
InChIKeyIMCVOMWOKZQBME-UHFFFAOYSA-N
MW374.48 g/mol
LogP4.31
Rot. Bonds5

About 2-[[4-(4-methoxyphenyl)piperazin-1-yl]-phenylmethyl]phenol

2-[[4-(4-methoxyphenyl)piperazin-1-yl]-phenylmethyl]phenol (PubChem CID 174990296) has the molecular formula C24H26N2O2 and a molecular weight of 374.48 g/mol. Its IUPAC name is 2-[[4-(4-methoxyphenyl)piperazin-1-yl]-phenylmethyl]phenol.

Molecular Properties

Compound Name2-[[4-(4-methoxyphenyl)piperazin-1-yl]-phenylmethyl]phenol
PubChem CID174990296
Molecular FormulaC24H26N2O2
Molecular Weight374.48 g/mol
Exact Mass374.20
IUPAC Name2-[[4-(4-methoxyphenyl)piperazin-1-yl]-phenylmethyl]phenol
SMILESCOc1ccc(N2CCN(C(c3ccccc3)c3ccccc3O)CC2)cc1
InChIInChI=1S/C24H26N2O2/c1-28-21-13-11-20(12-14-21)25-15-17-26(18-16-25)24(19-7-3-2-4-8-19)22-9-5-6-10-23(22)27/h2-14,24,27H,15-18H2,1H3
InChIKeyIMCVOMWOKZQBME-UHFFFAOYSA-N
XLogP4.31
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 2-[[4-(4-methoxyphenyl)piperazin-1-yl]-phenylmethyl]phenol 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

1-(4-benzhydrylpiperazin-1-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 55411668
2-hydroxy-1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylethanone
CID 110879916
4-(4-methoxyphenyl)-N-(1-phenylethyl)piperazine-1-carboxamide
CID 108988796
3-[4-(4-methoxyphenyl)piperazin-1-yl]-1-phenylpropan-1-ol
CID 10711251
1-[[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]-4-(4-methoxyphenyl)piperazine
CID 3209273
1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylpentan-1-one
CID 55334269
(4-benzhydrylpiperazin-1-yl)-(2-hydroxy-4-methoxyphenyl)methanone
CID 29262916
1-[(R)-(1-benzyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-(4-methoxyphenyl)piperazine
CID 1446260
1-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-phenylmethyl]-4-phenylpiperazine
CID 3209960
1-[(4-methoxyphenyl)-(1-propan-2-yltetrazol-5-yl)methyl]-4-phenylpiperazine;hydrochloride
CID 171668322
(2S)-2-(4-methoxyphenyl)-2-(4-phenylpiperazin-1-yl)ethanamine
CID 9161175
1-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]-3,3-diphenylpropan-1-one
CID 55919041

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-methoxyphenyl)piperazin-1-yl]-phenylmethyl]phenol?
The IUPAC name of 2-[[4-(4-methoxyphenyl)piperazin-1-yl]-phenylmethyl]phenol (CID 174990296) is 2-[[4-(4-methoxyphenyl)piperazin-1-yl]-phenylmethyl]phenol.
What is the SMILES notation for 2-[[4-(4-methoxyphenyl)piperazin-1-yl]-phenylmethyl]phenol?
The canonical SMILES for 2-[[4-(4-methoxyphenyl)piperazin-1-yl]-phenylmethyl]phenol is COc1ccc(N2CCN(C(c3ccccc3)c3ccccc3O)CC2)cc1.
What is the InChIKey of 2-[[4-(4-methoxyphenyl)piperazin-1-yl]-phenylmethyl]phenol?
The InChIKey is IMCVOMWOKZQBME-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O2/c1-28-21-13-11-20(12-14-21)25-15-17-26(18-16-25)24(19-7-3-2-4-8-19)22-9-5-6-10-23(22)27/h2-14,24,27H,15-18H2,1H3.
What are the key properties of 2-[[4-(4-methoxyphenyl)piperazin-1-yl]-phenylmethyl]phenol?
2-[[4-(4-methoxyphenyl)piperazin-1-yl]-phenylmethyl]phenol has a molecular weight of 374.48 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-methoxyphenyl)piperazin-1-yl]-phenylmethyl]phenol is sourced from PubChem (CID 174990296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).