1-[3-(4-methoxy-3-propan-2-yloxyphenyl)propyl]piperazine

C17H28N2O2 — CID 82160589

IUPAC1-[3-(4-methoxy-3-propan-2-yloxyphenyl)propyl]piperazine
SMILESCOc1ccc(CCCN2CCNCC2)cc1OC(C)C
InChIInChI=1S/C17H28N2O2/c1-14(2)21-17-13-15(6-7-16(17)20-3)5-4-10-19-11-8-18-9-12-19/h6-7,13-14,18H,4-5,8-12H2,1-3H3
InChIKeyZLJCOEJGEBCDRN-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.32
Rot. Bonds7

About 1-[3-(4-methoxy-3-propan-2-yloxyphenyl)propyl]piperazine

1-[3-(4-methoxy-3-propan-2-yloxyphenyl)propyl]piperazine (PubChem CID 82160589) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 1-[3-(4-methoxy-3-propan-2-yloxyphenyl)propyl]piperazine.

Molecular Properties

Compound Name1-[3-(4-methoxy-3-propan-2-yloxyphenyl)propyl]piperazine
PubChem CID82160589
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name1-[3-(4-methoxy-3-propan-2-yloxyphenyl)propyl]piperazine
SMILESCOc1ccc(CCCN2CCNCC2)cc1OC(C)C
InChIInChI=1S/C17H28N2O2/c1-14(2)21-17-13-15(6-7-16(17)20-3)5-4-10-19-11-8-18-9-12-19/h6-7,13-14,18H,4-5,8-12H2,1-3H3
InChIKeyZLJCOEJGEBCDRN-UHFFFAOYSA-N
XLogP2.32
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
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

5-(3-piperazin-1-ylpropyl)-2-propan-2-yloxyaniline
CID 82071077
1-[3-(4-methoxy-3-propoxyphenyl)propyl]piperazine
CID 82160590
4-[3-(3,4-dimethoxyphenyl)propyl]piperazin-1-amine
CID 82365911
1-[3-(3,4-dimethoxyphenyl)propyl]-4-(3-phenylpropyl)piperazine;dihydrochloride
CID 18933219
2-methoxy-5-(2-piperazin-1-ylethyl)phenol
CID 83294637
1-[3-(4-ethoxy-3-fluorophenyl)propyl]piperazine
CID 95471785
1-[3-(4-ethoxy-3-propylphenyl)propyl]piperazine
CID 170863848
1-[2-(4-propan-2-yloxyphenyl)ethyl]piperazine
CID 82255560
1-[3-(2,3,4-trimethoxyphenyl)propyl]piperazine
CID 83934072
5-[3-(4-methylpiperidin-1-yl)propyl]-2-propan-2-yloxyaniline
CID 82070796
1-[2-[4-(cyclopropylmethoxy)-3-methoxyphenyl]ethyl]piperazine
CID 117469441
1-[4-(3-methoxyphenyl)butyl]piperazine
CID 94267853

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methoxy-3-propan-2-yloxyphenyl)propyl]piperazine?
The IUPAC name of 1-[3-(4-methoxy-3-propan-2-yloxyphenyl)propyl]piperazine (CID 82160589) is 1-[3-(4-methoxy-3-propan-2-yloxyphenyl)propyl]piperazine.
What is the SMILES notation for 1-[3-(4-methoxy-3-propan-2-yloxyphenyl)propyl]piperazine?
The canonical SMILES for 1-[3-(4-methoxy-3-propan-2-yloxyphenyl)propyl]piperazine is COc1ccc(CCCN2CCNCC2)cc1OC(C)C.
What is the InChIKey of 1-[3-(4-methoxy-3-propan-2-yloxyphenyl)propyl]piperazine?
The InChIKey is ZLJCOEJGEBCDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-14(2)21-17-13-15(6-7-16(17)20-3)5-4-10-19-11-8-18-9-12-19/h6-7,13-14,18H,4-5,8-12H2,1-3H3.
What are the key properties of 1-[3-(4-methoxy-3-propan-2-yloxyphenyl)propyl]piperazine?
1-[3-(4-methoxy-3-propan-2-yloxyphenyl)propyl]piperazine has a molecular weight of 292.42 g/mol, XLogP of 2.32, 7 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-propan-2-yloxyphenyl)propyl]piperazine is sourced from PubChem (CID 82160589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).