1-[3-(4-methoxy-3-propoxyphenyl)propyl]piperazine

C17H28N2O2 — CID 82160590

IUPAC1-[3-(4-methoxy-3-propoxyphenyl)propyl]piperazine
SMILESCCCOc1cc(CCCN2CCNCC2)ccc1OC
InChIInChI=1S/C17H28N2O2/c1-3-13-21-17-14-15(6-7-16(17)20-2)5-4-10-19-11-8-18-9-12-19/h6-7,14,18H,3-5,8-13H2,1-2H3
InChIKeyGAQKWHMDXGJDQM-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.32
Rot. Bonds8

About 1-[3-(4-methoxy-3-propoxyphenyl)propyl]piperazine

1-[3-(4-methoxy-3-propoxyphenyl)propyl]piperazine (PubChem CID 82160590) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 1-[3-(4-methoxy-3-propoxyphenyl)propyl]piperazine.

Molecular Properties

Compound Name1-[3-(4-methoxy-3-propoxyphenyl)propyl]piperazine
PubChem CID82160590
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name1-[3-(4-methoxy-3-propoxyphenyl)propyl]piperazine
SMILESCCCOc1cc(CCCN2CCNCC2)ccc1OC
InChIInChI=1S/C17H28N2O2/c1-3-13-21-17-14-15(6-7-16(17)20-2)5-4-10-19-11-8-18-9-12-19/h6-7,14,18H,3-5,8-13H2,1-2H3
InChIKeyGAQKWHMDXGJDQM-UHFFFAOYSA-N
XLogP2.32
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-methoxy-3-propoxyphenyl)methyl]piperazine
CID 39364163
1-[3-(4-methoxy-3-propan-2-yloxyphenyl)propyl]piperazine
CID 82160589
1-[3-(4-ethoxy-3-propylphenyl)propyl]piperazine
CID 170863848
1-[3-(5-fluoro-2-propoxyphenyl)propyl]piperazine
CID 83944159
1-[3-(4-ethoxy-3-fluorophenyl)propyl]piperazine
CID 95471785
4-[2-[2-methoxy-5-[3-(4-methylpiperazin-1-yl)propyl]phenoxy]ethyl]morpholine
CID 170863583
1-methyl-4-[3-(3-methyl-4-propoxyphenyl)propyl]piperazine
CID 170863858
1-[3-[4-butyl-2-(3-piperidin-1-ylpropoxy)phenoxy]propyl]piperidine
CID 131729850
4-[3-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]propyl]morpholine
CID 170870265
5-[3-(4-ethylpiperazin-1-yl)propyl]-2-propoxyaniline
CID 82153563
4-[3-(3,4-dimethoxyphenyl)propyl]piperazin-1-amine
CID 82365911
1-[3-(3,4-dimethoxyphenyl)propyl]-4-(3-phenylpropyl)piperazine;dihydrochloride
CID 18933219

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methoxy-3-propoxyphenyl)propyl]piperazine?
The IUPAC name of 1-[3-(4-methoxy-3-propoxyphenyl)propyl]piperazine (CID 82160590) is 1-[3-(4-methoxy-3-propoxyphenyl)propyl]piperazine.
What is the SMILES notation for 1-[3-(4-methoxy-3-propoxyphenyl)propyl]piperazine?
The canonical SMILES for 1-[3-(4-methoxy-3-propoxyphenyl)propyl]piperazine is CCCOc1cc(CCCN2CCNCC2)ccc1OC.
What is the InChIKey of 1-[3-(4-methoxy-3-propoxyphenyl)propyl]piperazine?
The InChIKey is GAQKWHMDXGJDQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-3-13-21-17-14-15(6-7-16(17)20-2)5-4-10-19-11-8-18-9-12-19/h6-7,14,18H,3-5,8-13H2,1-2H3.
What are the key properties of 1-[3-(4-methoxy-3-propoxyphenyl)propyl]piperazine?
1-[3-(4-methoxy-3-propoxyphenyl)propyl]piperazine has a molecular weight of 292.42 g/mol, XLogP of 2.32, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methoxy-3-propoxyphenyl)propyl]piperazine is sourced from PubChem (CID 82160590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).