1-benzyl-4-[(2-methoxynaphthalen-1-yl)methyl]piperazine

C23H26N2O — CID 2245033

IUPAC1-benzyl-4-[(2-methoxynaphthalen-1-yl)methyl]piperazine
SMILESCOc1ccc2ccccc2c1CN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H26N2O/c1-26-23-12-11-20-9-5-6-10-21(20)22(23)18-25-15-13-24(14-16-25)17-19-7-3-2-4-8-19/h2-12H,13-18H2,1H3
InChIKeyDIWDJLXPQLNOOB-UHFFFAOYSA-N
MW346.47 g/mol
LogP4.17
Rot. Bonds5

About 1-benzyl-4-[(2-methoxynaphthalen-1-yl)methyl]piperazine

1-benzyl-4-[(2-methoxynaphthalen-1-yl)methyl]piperazine (PubChem CID 2245033) has the molecular formula C23H26N2O and a molecular weight of 346.47 g/mol. Its IUPAC name is 1-benzyl-4-[(2-methoxynaphthalen-1-yl)methyl]piperazine.

Molecular Properties

Compound Name1-benzyl-4-[(2-methoxynaphthalen-1-yl)methyl]piperazine
PubChem CID2245033
Molecular FormulaC23H26N2O
Molecular Weight346.47 g/mol
Exact Mass346.20
IUPAC Name1-benzyl-4-[(2-methoxynaphthalen-1-yl)methyl]piperazine
SMILESCOc1ccc2ccccc2c1CN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H26N2O/c1-26-23-12-11-20-9-5-6-10-21(20)22(23)18-25-15-13-24(14-16-25)17-19-7-3-2-4-8-19/h2-12H,13-18H2,1H3
InChIKeyDIWDJLXPQLNOOB-UHFFFAOYSA-N
XLogP4.17
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[(2-methoxynaphthalen-1-yl)methyl]piperazine?
The IUPAC name of 1-benzyl-4-[(2-methoxynaphthalen-1-yl)methyl]piperazine (CID 2245033) is 1-benzyl-4-[(2-methoxynaphthalen-1-yl)methyl]piperazine.
What is the SMILES notation for 1-benzyl-4-[(2-methoxynaphthalen-1-yl)methyl]piperazine?
The canonical SMILES for 1-benzyl-4-[(2-methoxynaphthalen-1-yl)methyl]piperazine is COc1ccc2ccccc2c1CN1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-4-[(2-methoxynaphthalen-1-yl)methyl]piperazine?
The InChIKey is DIWDJLXPQLNOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O/c1-26-23-12-11-20-9-5-6-10-21(20)22(23)18-25-15-13-24(14-16-25)17-19-7-3-2-4-8-19/h2-12H,13-18H2,1H3.
What are the key properties of 1-benzyl-4-[(2-methoxynaphthalen-1-yl)methyl]piperazine?
1-benzyl-4-[(2-methoxynaphthalen-1-yl)methyl]piperazine has a molecular weight of 346.47 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[(2-methoxynaphthalen-1-yl)methyl]piperazine is sourced from PubChem (CID 2245033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).