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

C18H24N2O — CID 783028

IUPAC1-ethyl-4-[(2-methoxynaphthalen-1-yl)methyl]piperazine
SMILESCCN1CCN(Cc2c(OC)ccc3ccccc23)CC1
InChIInChI=1S/C18H24N2O/c1-3-19-10-12-20(13-11-19)14-17-16-7-5-4-6-15(16)8-9-18(17)21-2/h4-9H,3,10-14H2,1-2H3
InChIKeyUNUWBECYDXLQQP-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.99
Rot. Bonds4

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

1-ethyl-4-[(2-methoxynaphthalen-1-yl)methyl]piperazine (PubChem CID 783028) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-ethyl-4-[(2-methoxynaphthalen-1-yl)methyl]piperazine.

Molecular Properties

Compound Name1-ethyl-4-[(2-methoxynaphthalen-1-yl)methyl]piperazine
PubChem CID783028
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name1-ethyl-4-[(2-methoxynaphthalen-1-yl)methyl]piperazine
SMILESCCN1CCN(Cc2c(OC)ccc3ccccc23)CC1
InChIInChI=1S/C18H24N2O/c1-3-19-10-12-20(13-11-19)14-17-16-7-5-4-6-15(16)8-9-18(17)21-2/h4-9H,3,10-14H2,1-2H3
InChIKeyUNUWBECYDXLQQP-UHFFFAOYSA-N
XLogP2.99
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[(2-methoxynaphthalen-1-yl)methyl]piperazine?
The IUPAC name of 1-ethyl-4-[(2-methoxynaphthalen-1-yl)methyl]piperazine (CID 783028) is 1-ethyl-4-[(2-methoxynaphthalen-1-yl)methyl]piperazine.
What is the SMILES notation for 1-ethyl-4-[(2-methoxynaphthalen-1-yl)methyl]piperazine?
The canonical SMILES for 1-ethyl-4-[(2-methoxynaphthalen-1-yl)methyl]piperazine is CCN1CCN(Cc2c(OC)ccc3ccccc23)CC1.
What is the InChIKey of 1-ethyl-4-[(2-methoxynaphthalen-1-yl)methyl]piperazine?
The InChIKey is UNUWBECYDXLQQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-3-19-10-12-20(13-11-19)14-17-16-7-5-4-6-15(16)8-9-18(17)21-2/h4-9H,3,10-14H2,1-2H3.
What are the key properties of 1-ethyl-4-[(2-methoxynaphthalen-1-yl)methyl]piperazine?
1-ethyl-4-[(2-methoxynaphthalen-1-yl)methyl]piperazine has a molecular weight of 284.40 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[(2-methoxynaphthalen-1-yl)methyl]piperazine is sourced from PubChem (CID 783028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).