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

C23H26N2O2 — CID 9325307

IUPAC1-[[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methyl]naphthalen-2-ol
SMILESCOc1ccc(CN2CCN(Cc3c(O)ccc4ccccc34)CC2)cc1
InChIInChI=1S/C23H26N2O2/c1-27-20-9-6-18(7-10-20)16-24-12-14-25(15-13-24)17-22-21-5-3-2-4-19(21)8-11-23(22)26/h2-11,26H,12-17H2,1H3
InChIKeyTWXWHMRXPCDGGW-UHFFFAOYSA-N
MW362.47 g/mol
LogP3.87
Rot. Bonds5

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

1-[[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methyl]naphthalen-2-ol (PubChem CID 9325307) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is 1-[[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methyl]naphthalen-2-ol
PubChem CID9325307
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC Name1-[[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methyl]naphthalen-2-ol
SMILESCOc1ccc(CN2CCN(Cc3c(O)ccc4ccccc34)CC2)cc1
InChIInChI=1S/C23H26N2O2/c1-27-20-9-6-18(7-10-20)16-24-12-14-25(15-13-24)17-22-21-5-3-2-4-19(21)8-11-23(22)26/h2-11,26H,12-17H2,1H3
InChIKeyTWXWHMRXPCDGGW-UHFFFAOYSA-N
XLogP3.87
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-methoxy-1-[(4-phenylpiperazin-1-yl)methyl]naphthalen-2-ol
CID 2672003
7-methoxy-1-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]naphthalen-2-ol
CID 2672032
1-[[4-[2-hydroxy-3-[4-[(2-hydroxynaphthalen-1-yl)methyl]piperazin-1-yl]propyl]piperazin-1-yl]methyl]naphthalen-2-ol
CID 23878911
1-[4-[(2-hydroxy-7-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]ethanone
CID 75412809
1,4,7-tris[(4-methoxyphenyl)methyl]-1,4,7-triazecane
CID 66887441
1-benzyl-4-[(2-methylnaphthalen-1-yl)methyl]piperazine
CID 25165683
2-[(4-benzylpiperazin-1-yl)methyl]-5-methoxyphenol
CID 783532
1-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]naphthalen-2-ol
CID 2845612
1-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]naphthalen-2-ol
CID 2213235
1-[(3-methoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine
CID 2873492
N,4-bis[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 27516945
1-[(4-methoxyphenyl)methyl]-4-(2-phenoxypropyl)piperazine
CID 21472218

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methyl]naphthalen-2-ol?
The IUPAC name of 1-[[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methyl]naphthalen-2-ol (CID 9325307) is 1-[[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methyl]naphthalen-2-ol.
What is the SMILES notation for 1-[[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methyl]naphthalen-2-ol?
The canonical SMILES for 1-[[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methyl]naphthalen-2-ol is COc1ccc(CN2CCN(Cc3c(O)ccc4ccccc34)CC2)cc1.
What is the InChIKey of 1-[[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methyl]naphthalen-2-ol?
The InChIKey is TWXWHMRXPCDGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2/c1-27-20-9-6-18(7-10-20)16-24-12-14-25(15-13-24)17-22-21-5-3-2-4-19(21)8-11-23(22)26/h2-11,26H,12-17H2,1H3.
What are the key properties of 1-[[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methyl]naphthalen-2-ol?
1-[[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methyl]naphthalen-2-ol has a molecular weight of 362.47 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methyl]naphthalen-2-ol is sourced from PubChem (CID 9325307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).