1-[2-[2-(cyclobutylmethoxy)-5-methylphenyl]ethyl]piperazine

C18H28N2O — CID 117466165

IUPAC1-[2-[2-(cyclobutylmethoxy)-5-methylphenyl]ethyl]piperazine
SMILESCc1ccc(OCC2CCC2)c(CCN2CCNCC2)c1
InChIInChI=1S/C18H28N2O/c1-15-5-6-18(21-14-16-3-2-4-16)17(13-15)7-10-20-11-8-19-9-12-20/h5-6,13,16,19H,2-4,7-12,14H2,1H3
InChIKeyZNWDEFUKQGMXCT-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.62
Rot. Bonds6

About 1-[2-[2-(cyclobutylmethoxy)-5-methylphenyl]ethyl]piperazine

1-[2-[2-(cyclobutylmethoxy)-5-methylphenyl]ethyl]piperazine (PubChem CID 117466165) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 1-[2-[2-(cyclobutylmethoxy)-5-methylphenyl]ethyl]piperazine.

Molecular Properties

Compound Name1-[2-[2-(cyclobutylmethoxy)-5-methylphenyl]ethyl]piperazine
PubChem CID117466165
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name1-[2-[2-(cyclobutylmethoxy)-5-methylphenyl]ethyl]piperazine
SMILESCc1ccc(OCC2CCC2)c(CCN2CCNCC2)c1
InChIInChI=1S/C18H28N2O/c1-15-5-6-18(21-14-16-3-2-4-16)17(13-15)7-10-20-11-8-19-9-12-20/h5-6,13,16,19H,2-4,7-12,14H2,1H3
InChIKeyZNWDEFUKQGMXCT-UHFFFAOYSA-N
XLogP2.62
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-(cyclobutylmethoxy)-5-methylphenyl]methyl]piperidine
CID 117436667
1-[2-(2-methoxy-5-methylphenyl)ethyl]piperazine
CID 82083196
1-[2-[4-(cyclopropylmethoxy)-3-methoxyphenyl]ethyl]piperazine
CID 117469441
2-[5-methyl-2-(piperidin-3-ylmethoxy)phenyl]ethanol
CID 170887455
1-[(2-ethoxy-5-methylphenyl)methyl]piperazine
CID 82263437
1-[2-(5-bromo-2-ethoxyphenyl)ethyl]piperazine
CID 82263455
[2-(cyclopentylmethoxy)-5-methylphenyl]methanol
CID 63325672
1-[2-(cyclobutylmethoxy)-5-methylphenyl]propan-2-amine
CID 65459757
1-[[2-(cyclopropylmethoxy)-3,5-dimethylphenyl]methyl]piperazine
CID 117438814
1-[[5-chloro-2-(cyclopropylmethoxy)phenyl]methyl]piperazine
CID 117450901
1-[4-(cyclobutylmethoxy)-3-methylphenyl]-1,4-diazepane
CID 65461450
1-[2-(5-methyl-2-methylsulfonylphenyl)ethyl]piperazine
CID 82264703

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(cyclobutylmethoxy)-5-methylphenyl]ethyl]piperazine?
The IUPAC name of 1-[2-[2-(cyclobutylmethoxy)-5-methylphenyl]ethyl]piperazine (CID 117466165) is 1-[2-[2-(cyclobutylmethoxy)-5-methylphenyl]ethyl]piperazine.
What is the SMILES notation for 1-[2-[2-(cyclobutylmethoxy)-5-methylphenyl]ethyl]piperazine?
The canonical SMILES for 1-[2-[2-(cyclobutylmethoxy)-5-methylphenyl]ethyl]piperazine is Cc1ccc(OCC2CCC2)c(CCN2CCNCC2)c1.
What is the InChIKey of 1-[2-[2-(cyclobutylmethoxy)-5-methylphenyl]ethyl]piperazine?
The InChIKey is ZNWDEFUKQGMXCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-15-5-6-18(21-14-16-3-2-4-16)17(13-15)7-10-20-11-8-19-9-12-20/h5-6,13,16,19H,2-4,7-12,14H2,1H3.
What are the key properties of 1-[2-[2-(cyclobutylmethoxy)-5-methylphenyl]ethyl]piperazine?
1-[2-[2-(cyclobutylmethoxy)-5-methylphenyl]ethyl]piperazine has a molecular weight of 288.44 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(cyclobutylmethoxy)-5-methylphenyl]ethyl]piperazine is sourced from PubChem (CID 117466165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).