1-[3-(4-ethoxy-3-propylphenyl)propyl]piperazine

C18H30N2O — CID 170863848

IUPAC1-[3-(4-ethoxy-3-propylphenyl)propyl]piperazine
SMILESCCCc1cc(CCCN2CCNCC2)ccc1OCC
InChIInChI=1S/C18H30N2O/c1-3-6-17-15-16(8-9-18(17)21-4-2)7-5-12-20-13-10-19-11-14-20/h8-9,15,19H,3-7,10-14H2,1-2H3
InChIKeyZJWUVRSVNMKPPQ-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.88
Rot. Bonds8

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

1-[3-(4-ethoxy-3-propylphenyl)propyl]piperazine (PubChem CID 170863848) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 1-[3-(4-ethoxy-3-propylphenyl)propyl]piperazine.

Molecular Properties

Compound Name1-[3-(4-ethoxy-3-propylphenyl)propyl]piperazine
PubChem CID170863848
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name1-[3-(4-ethoxy-3-propylphenyl)propyl]piperazine
SMILESCCCc1cc(CCCN2CCNCC2)ccc1OCC
InChIInChI=1S/C18H30N2O/c1-3-6-17-15-16(8-9-18(17)21-4-2)7-5-12-20-13-10-19-11-14-20/h8-9,15,19H,3-7,10-14H2,1-2H3
InChIKeyZJWUVRSVNMKPPQ-UHFFFAOYSA-N
XLogP2.88
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(4-ethoxy-3-fluorophenyl)propyl]piperazine
CID 95471785
1-[4-(5-chloro-2-ethoxyphenyl)butyl]piperazine
CID 83933258
1-[3-(4-methoxy-3-propoxyphenyl)propyl]piperazine
CID 82160590
1-[3-[4-(cyclopropylmethoxy)-3-propylphenyl]propyl]-4-methylpiperazine
CID 170863803
1-[2-(5-bromo-2-ethoxyphenyl)ethyl]piperazine
CID 82263455
1-[2-(3-chloro-4-ethoxyphenyl)ethyl]piperazine
CID 95472670
1-[3-(5-fluoro-2-propoxyphenyl)propyl]piperazine
CID 83944159
1-[2-(3-tert-butyl-4-ethoxyphenyl)ethyl]piperazine
CID 82263880
1-[3-(2-ethoxyphenyl)propyl]-1,4-diazepane
CID 95468566
1-[3-[4-ethoxy-3-(piperidin-1-ylmethyl)phenyl]propyl]-4-methylpiperazine
CID 170863628
2-ethoxy-5-[3-(4-methylpiperazin-1-yl)propyl]aniline
CID 82071130
5-(3-piperazin-1-ylpropyl)-2-propan-2-yloxyaniline
CID 82071077

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-ethoxy-3-propylphenyl)propyl]piperazine?
The IUPAC name of 1-[3-(4-ethoxy-3-propylphenyl)propyl]piperazine (CID 170863848) is 1-[3-(4-ethoxy-3-propylphenyl)propyl]piperazine.
What is the SMILES notation for 1-[3-(4-ethoxy-3-propylphenyl)propyl]piperazine?
The canonical SMILES for 1-[3-(4-ethoxy-3-propylphenyl)propyl]piperazine is CCCc1cc(CCCN2CCNCC2)ccc1OCC.
What is the InChIKey of 1-[3-(4-ethoxy-3-propylphenyl)propyl]piperazine?
The InChIKey is ZJWUVRSVNMKPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-3-6-17-15-16(8-9-18(17)21-4-2)7-5-12-20-13-10-19-11-14-20/h8-9,15,19H,3-7,10-14H2,1-2H3.
What are the key properties of 1-[3-(4-ethoxy-3-propylphenyl)propyl]piperazine?
1-[3-(4-ethoxy-3-propylphenyl)propyl]piperazine has a molecular weight of 290.45 g/mol, XLogP of 2.88, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-ethoxy-3-propylphenyl)propyl]piperazine is sourced from PubChem (CID 170863848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).