1-[(1S)-1-(2-methoxynaphthalen-1-yl)ethyl]piperazine

C17H22N2O — CID 171282087

IUPAC1-[(1S)-1-(2-methoxynaphthalen-1-yl)ethyl]piperazine
SMILESCOc1ccc2ccccc2c1[C@H](C)N1CCNCC1
InChIInChI=1S/C17H22N2O/c1-13(19-11-9-18-10-12-19)17-15-6-4-3-5-14(15)7-8-16(17)20-2/h3-8,13,18H,9-12H2,1-2H3/t13-/m0/s1
InChIKeyAIESZJQKMYSNLR-ZDUSSCGKSA-N
MW270.38 g/mol
LogP2.81
Rot. Bonds3

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

1-[(1S)-1-(2-methoxynaphthalen-1-yl)ethyl]piperazine (PubChem CID 171282087) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 1-[(1S)-1-(2-methoxynaphthalen-1-yl)ethyl]piperazine.

Molecular Properties

Compound Name1-[(1S)-1-(2-methoxynaphthalen-1-yl)ethyl]piperazine
PubChem CID171282087
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name1-[(1S)-1-(2-methoxynaphthalen-1-yl)ethyl]piperazine
SMILESCOc1ccc2ccccc2c1[C@H](C)N1CCNCC1
InChIInChI=1S/C17H22N2O/c1-13(19-11-9-18-10-12-19)17-15-6-4-3-5-14(15)7-8-16(17)20-2/h3-8,13,18H,9-12H2,1-2H3/t13-/m0/s1
InChIKeyAIESZJQKMYSNLR-ZDUSSCGKSA-N
XLogP2.81
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxynaphthalen-1-yl)-2-piperazin-1-ylpropan-1-ol
CID 82263008
1-[(1R)-1-piperazin-1-ylethyl]naphthalen-2-ol;dihydrochloride
CID 171294389
1-[(1S)-1-(2-methoxynaphthalen-1-yl)but-3-enyl]piperazine;dihydrochloride
CID 171282098
1-[(S)-(2-methoxynaphthalen-1-yl)-thiophen-2-ylmethyl]piperazine
CID 171294727
(3R)-3-(2-methoxynaphthalen-1-yl)-2,2-dimethyl-3-piperazin-1-ylpropan-1-ol
CID 171190221
1-[(1R)-3,3,3-trifluoro-1-(2-methoxynaphthalen-1-yl)propyl]piperazine;hydrochloride
CID 171172510
1-[(1R)-1-(2-methoxynaphthalen-1-yl)pent-4-enyl]piperazine;dihydrochloride
CID 171294742
1-[(1R)-1-(4-methoxynaphthalen-1-yl)ethyl]piperazine;dihydrochloride
CID 171296885
1-[(1R)-1-(2-ethoxynaphthalen-1-yl)-3-methylbutyl]piperazine
CID 171295034
1-[1-(2-methoxyphenyl)ethyl]-1,4-diazepane
CID 3722689
1-[(1R)-1-(2,6-dimethoxy-4-methylphenyl)ethyl]piperazine
CID 171296555
1-[(S)-cyclopropyl-(2-ethoxynaphthalen-1-yl)methyl]piperazine
CID 171282396

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(2-methoxynaphthalen-1-yl)ethyl]piperazine?
The IUPAC name of 1-[(1S)-1-(2-methoxynaphthalen-1-yl)ethyl]piperazine (CID 171282087) is 1-[(1S)-1-(2-methoxynaphthalen-1-yl)ethyl]piperazine.
What is the SMILES notation for 1-[(1S)-1-(2-methoxynaphthalen-1-yl)ethyl]piperazine?
The canonical SMILES for 1-[(1S)-1-(2-methoxynaphthalen-1-yl)ethyl]piperazine is COc1ccc2ccccc2c1[C@H](C)N1CCNCC1.
What is the InChIKey of 1-[(1S)-1-(2-methoxynaphthalen-1-yl)ethyl]piperazine?
The InChIKey is AIESZJQKMYSNLR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H22N2O/c1-13(19-11-9-18-10-12-19)17-15-6-4-3-5-14(15)7-8-16(17)20-2/h3-8,13,18H,9-12H2,1-2H3/t13-/m0/s1.
What are the key properties of 1-[(1S)-1-(2-methoxynaphthalen-1-yl)ethyl]piperazine?
1-[(1S)-1-(2-methoxynaphthalen-1-yl)ethyl]piperazine has a molecular weight of 270.38 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(2-methoxynaphthalen-1-yl)ethyl]piperazine is sourced from PubChem (CID 171282087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).