1-[2-(naphthalen-1-ylmethoxy)ethyl]piperazine

C17H22N2O — CID 82353012

IUPAC1-[2-(naphthalen-1-ylmethoxy)ethyl]piperazine
SMILESc1ccc2c(COCCN3CCNCC3)cccc2c1
InChIInChI=1S/C17H22N2O/c1-2-7-17-15(4-1)5-3-6-16(17)14-20-13-12-19-10-8-18-9-11-19/h1-7,18H,8-14H2
InChIKeyMPEZKZROAGRWGY-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.26
Rot. Bonds5

About 1-[2-(naphthalen-1-ylmethoxy)ethyl]piperazine

1-[2-(naphthalen-1-ylmethoxy)ethyl]piperazine (PubChem CID 82353012) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 1-[2-(naphthalen-1-ylmethoxy)ethyl]piperazine.

Molecular Properties

Compound Name1-[2-(naphthalen-1-ylmethoxy)ethyl]piperazine
PubChem CID82353012
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name1-[2-(naphthalen-1-ylmethoxy)ethyl]piperazine
SMILESc1ccc2c(COCCN3CCNCC3)cccc2c1
InChIInChI=1S/C17H22N2O/c1-2-7-17-15(4-1)5-3-6-16(17)14-20-13-12-19-10-8-18-9-11-19/h1-7,18H,8-14H2
InChIKeyMPEZKZROAGRWGY-UHFFFAOYSA-N
XLogP2.26
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[2-(naphthalen-1-ylmethoxy)ethyl]piperazine 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-(2-phenylmethoxyethyl)piperazine;dihydrochloride
CID 154704526
N'-(naphthalen-1-ylmethyl)-N-(4-piperazin-1-ylbutyl)butane-1,4-diamine;hydrochloride
CID 45263554
1-[2-(naphthalen-1-ylmethoxy)-1-phenylethyl]piperazine
CID 69227426
1-[2-[(2,4-dimethylphenyl)methoxy]ethyl]piperazine
CID 96663407
1-(naphthalen-1-ylmethyl)-1,5-diazocane
CID 62369644
4-(naphthalen-1-ylmethoxy)piperidine
CID 13194444
5-(2-piperazin-1-ylethyl)isoquinoline
CID 117355834
1-(3-phenoxypropyl)piperazine
CID 2760351
2-(naphthalen-1-ylmethoxy)-6-piperazin-1-ylpyrazine
CID 10267995
1-(2-piperazin-1-ylethoxymethyl)piperazine
CID 167474718
1-(5-bromopentoxymethyl)naphthalene
CID 19101842
1-(hexoxymethyl)naphthalene
CID 18427527

Frequently Asked Questions

What is the IUPAC name of 1-[2-(naphthalen-1-ylmethoxy)ethyl]piperazine?
The IUPAC name of 1-[2-(naphthalen-1-ylmethoxy)ethyl]piperazine (CID 82353012) is 1-[2-(naphthalen-1-ylmethoxy)ethyl]piperazine.
What is the SMILES notation for 1-[2-(naphthalen-1-ylmethoxy)ethyl]piperazine?
The canonical SMILES for 1-[2-(naphthalen-1-ylmethoxy)ethyl]piperazine is c1ccc2c(COCCN3CCNCC3)cccc2c1.
What is the InChIKey of 1-[2-(naphthalen-1-ylmethoxy)ethyl]piperazine?
The InChIKey is MPEZKZROAGRWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-2-7-17-15(4-1)5-3-6-16(17)14-20-13-12-19-10-8-18-9-11-19/h1-7,18H,8-14H2.
What are the key properties of 1-[2-(naphthalen-1-ylmethoxy)ethyl]piperazine?
1-[2-(naphthalen-1-ylmethoxy)ethyl]piperazine has a molecular weight of 270.38 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(naphthalen-1-ylmethoxy)ethyl]piperazine is sourced from PubChem (CID 82353012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).