1-[3-(4-ethoxy-2-methylphenyl)propyl]piperazine

C16H26N2O — CID 83936615

IUPAC1-[3-(4-ethoxy-2-methylphenyl)propyl]piperazine
SMILESCCOc1ccc(CCCN2CCNCC2)c(C)c1
InChIInChI=1S/C16H26N2O/c1-3-19-16-7-6-15(14(2)13-16)5-4-10-18-11-8-17-9-12-18/h6-7,13,17H,3-5,8-12H2,1-2H3
InChIKeyIDEBIHVSKNVINO-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.23
Rot. Bonds6

About 1-[3-(4-ethoxy-2-methylphenyl)propyl]piperazine

1-[3-(4-ethoxy-2-methylphenyl)propyl]piperazine (PubChem CID 83936615) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-[3-(4-ethoxy-2-methylphenyl)propyl]piperazine.

Molecular Properties

Compound Name1-[3-(4-ethoxy-2-methylphenyl)propyl]piperazine
PubChem CID83936615
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-[3-(4-ethoxy-2-methylphenyl)propyl]piperazine
SMILESCCOc1ccc(CCCN2CCNCC2)c(C)c1
InChIInChI=1S/C16H26N2O/c1-3-19-16-7-6-15(14(2)13-16)5-4-10-18-11-8-17-9-12-18/h6-7,13,17H,3-5,8-12H2,1-2H3
InChIKeyIDEBIHVSKNVINO-UHFFFAOYSA-N
XLogP2.23
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(4-ethoxy-2-ethylphenyl)propyl]-1,4-diazepane
CID 83941684
1-[3-(3,4-dimethylphenoxy)propyl]-1,4-diazepane
CID 43162422
3-(4-ethoxy-2-methylphenyl)propane-1-thiol
CID 83798450
1-[2-(4-ethoxy-2,5-dimethylphenyl)ethyl]piperazine
CID 94693693
3-(4-ethoxy-2-methylphenyl)-N,N-dimethylpropan-1-amine
CID 170866578
1-[4-(2-ethyl-4-methoxyphenyl)butyl]piperazine
CID 83941550
1-[4-(2,6-dimethyl-4-propoxyphenyl)butyl]piperazine
CID 83940345
1-[4-(4-ethoxyphenoxy)butyl]piperazine;oxalic acid
CID 2943850
1-[3-(2-ethoxyphenyl)propyl]-1,4-diazepane
CID 95468566
1-[4-(2,5-dimethyl-4-propoxyphenyl)butyl]piperazine
CID 83940966
1-[3-(2-bromo-4-methylphenyl)propyl]piperazine
CID 82308191
1-[3-(4-ethoxy-3-propylphenyl)propyl]piperazine
CID 170863848

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-ethoxy-2-methylphenyl)propyl]piperazine?
The IUPAC name of 1-[3-(4-ethoxy-2-methylphenyl)propyl]piperazine (CID 83936615) is 1-[3-(4-ethoxy-2-methylphenyl)propyl]piperazine.
What is the SMILES notation for 1-[3-(4-ethoxy-2-methylphenyl)propyl]piperazine?
The canonical SMILES for 1-[3-(4-ethoxy-2-methylphenyl)propyl]piperazine is CCOc1ccc(CCCN2CCNCC2)c(C)c1.
What is the InChIKey of 1-[3-(4-ethoxy-2-methylphenyl)propyl]piperazine?
The InChIKey is IDEBIHVSKNVINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-3-19-16-7-6-15(14(2)13-16)5-4-10-18-11-8-17-9-12-18/h6-7,13,17H,3-5,8-12H2,1-2H3.
What are the key properties of 1-[3-(4-ethoxy-2-methylphenyl)propyl]piperazine?
1-[3-(4-ethoxy-2-methylphenyl)propyl]piperazine has a molecular weight of 262.40 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-ethoxy-2-methylphenyl)propyl]piperazine is sourced from PubChem (CID 83936615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).