7-methoxy-1-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]naphthalen-2-ol

C23H26N2O3 — CID 2672032

IUPAC7-methoxy-1-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]naphthalen-2-ol
SMILESCOc1ccc(N2CCN(Cc3c(O)ccc4ccc(OC)cc34)CC2)cc1
InChIInChI=1S/C23H26N2O3/c1-27-19-8-5-18(6-9-19)25-13-11-24(12-14-25)16-22-21-15-20(28-2)7-3-17(21)4-10-23(22)26/h3-10,15,26H,11-14,16H2,1-2H3
InChIKeyMVBQAFQMAJAANW-UHFFFAOYSA-N
MW378.47 g/mol
LogP3.88
Rot. Bonds5

About 7-methoxy-1-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]naphthalen-2-ol

7-methoxy-1-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]naphthalen-2-ol (PubChem CID 2672032) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is 7-methoxy-1-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]naphthalen-2-ol.

Molecular Properties

Compound Name7-methoxy-1-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]naphthalen-2-ol
PubChem CID2672032
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Name7-methoxy-1-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]naphthalen-2-ol
SMILESCOc1ccc(N2CCN(Cc3c(O)ccc4ccc(OC)cc34)CC2)cc1
InChIInChI=1S/C23H26N2O3/c1-27-19-8-5-18(6-9-19)25-13-11-24(12-14-25)16-22-21-15-20(28-2)7-3-17(21)4-10-23(22)26/h3-10,15,26H,11-14,16H2,1-2H3
InChIKeyMVBQAFQMAJAANW-UHFFFAOYSA-N
XLogP3.88
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 7-methoxy-1-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]naphthalen-2-ol 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

7-methoxy-1-[(4-phenylpiperazin-1-yl)methyl]naphthalen-2-ol
CID 2672003
1-[4-[(2-hydroxy-7-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]ethanone
CID 75412809
1-[[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methyl]naphthalen-2-ol
CID 9325307
1-[[(2S)-2-ethylmorpholin-4-yl]methyl]-7-methoxynaphthalen-2-ol
CID 34894357
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-7-methoxynaphthalen-2-ol
CID 26031863
methyl (2R)-4-[(2-hydroxy-7-methoxynaphthalen-1-yl)methyl]thiomorpholine-2-carboxylate
CID 9233693
6-methoxy-4-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]chromen-2-one
CID 6485174
7-methoxy-1-[[(2S)-2-phenylazetidin-1-yl]methyl]naphthalen-2-ol
CID 95150098
7-hydroxy-3-(4-methoxyphenyl)-8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-2-(trifluoromethyl)chromen-4-one
CID 95399484
4-(6-bromo-2-oxochromen-3-yl)-7-hydroxy-8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]chromen-2-one
CID 95399479
1-[(2-hydroxy-7-methoxynaphthalen-1-yl)methyl]-N-pyridin-2-ylpiperidine-4-carboxamide
CID 55865729
1-(4-methoxyphenyl)-4-propylpiperazine
CID 12854846

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]naphthalen-2-ol?
The IUPAC name of 7-methoxy-1-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]naphthalen-2-ol (CID 2672032) is 7-methoxy-1-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]naphthalen-2-ol.
What is the SMILES notation for 7-methoxy-1-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]naphthalen-2-ol?
The canonical SMILES for 7-methoxy-1-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]naphthalen-2-ol is COc1ccc(N2CCN(Cc3c(O)ccc4ccc(OC)cc34)CC2)cc1.
What is the InChIKey of 7-methoxy-1-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]naphthalen-2-ol?
The InChIKey is MVBQAFQMAJAANW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-27-19-8-5-18(6-9-19)25-13-11-24(12-14-25)16-22-21-15-20(28-2)7-3-17(21)4-10-23(22)26/h3-10,15,26H,11-14,16H2,1-2H3.
What are the key properties of 7-methoxy-1-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]naphthalen-2-ol?
7-methoxy-1-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]naphthalen-2-ol has a molecular weight of 378.47 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]naphthalen-2-ol is sourced from PubChem (CID 2672032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).