1-[1-(4-ethoxy-3-methylphenyl)ethyl]piperazine

C15H24N2O — CID 82296699

IUPAC1-[1-(4-ethoxy-3-methylphenyl)ethyl]piperazine
SMILESCCOc1ccc(C(C)N2CCNCC2)cc1C
InChIInChI=1S/C15H24N2O/c1-4-18-15-6-5-14(11-12(15)2)13(3)17-9-7-16-8-10-17/h5-6,11,13,16H,4,7-10H2,1-3H3
InChIKeyJSAOIVRBTGLPTF-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.36
Rot. Bonds4

About 1-[1-(4-ethoxy-3-methylphenyl)ethyl]piperazine

1-[1-(4-ethoxy-3-methylphenyl)ethyl]piperazine (PubChem CID 82296699) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-[1-(4-ethoxy-3-methylphenyl)ethyl]piperazine.

Molecular Properties

Compound Name1-[1-(4-ethoxy-3-methylphenyl)ethyl]piperazine
PubChem CID82296699
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-[1-(4-ethoxy-3-methylphenyl)ethyl]piperazine
SMILESCCOc1ccc(C(C)N2CCNCC2)cc1C
InChIInChI=1S/C15H24N2O/c1-4-18-15-6-5-14(11-12(15)2)13(3)17-9-7-16-8-10-17/h5-6,11,13,16H,4,7-10H2,1-3H3
InChIKeyJSAOIVRBTGLPTF-UHFFFAOYSA-N
XLogP2.36
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1R)-1-(4-ethoxyphenyl)ethyl]piperazine;dihydrochloride
CID 171287082
1-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]piperazine
CID 28798624
1-[(1S)-1-(2-ethoxyphenyl)ethyl]piperazine;dihydrochloride
CID 171275548
1-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]piperazine
CID 28798806
1-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]piperazine;dihydrochloride
CID 171282575
1-[(1R)-1-(3-ethoxy-4-methoxyphenyl)-2-methylbutyl]piperazine;dihydrochloride
CID 171304751
1-(4-ethoxy-3-methylphenyl)ethanamine
CID 15594750
1-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]piperazine;hydrochloride
CID 171168811
4-ethoxy-N,3-dimethyl-N-(piperazin-1-ylmethyl)aniline
CID 115229889
1-(4-ethoxy-3-methylphenyl)-1,4-diazepane
CID 63214343
1-[1-(3,4-diiodophenyl)ethyl]piperazine
CID 118911318
1-[(5-chloro-2-ethoxyphenyl)-(4-fluorophenyl)methyl]piperazine
CID 3748492

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-ethoxy-3-methylphenyl)ethyl]piperazine?
The IUPAC name of 1-[1-(4-ethoxy-3-methylphenyl)ethyl]piperazine (CID 82296699) is 1-[1-(4-ethoxy-3-methylphenyl)ethyl]piperazine.
What is the SMILES notation for 1-[1-(4-ethoxy-3-methylphenyl)ethyl]piperazine?
The canonical SMILES for 1-[1-(4-ethoxy-3-methylphenyl)ethyl]piperazine is CCOc1ccc(C(C)N2CCNCC2)cc1C.
What is the InChIKey of 1-[1-(4-ethoxy-3-methylphenyl)ethyl]piperazine?
The InChIKey is JSAOIVRBTGLPTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-4-18-15-6-5-14(11-12(15)2)13(3)17-9-7-16-8-10-17/h5-6,11,13,16H,4,7-10H2,1-3H3.
What are the key properties of 1-[1-(4-ethoxy-3-methylphenyl)ethyl]piperazine?
1-[1-(4-ethoxy-3-methylphenyl)ethyl]piperazine has a molecular weight of 248.37 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-ethoxy-3-methylphenyl)ethyl]piperazine is sourced from PubChem (CID 82296699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).