1-[2-(3-methoxyphenyl)ethyl]-3-propylpiperazine

C16H26N2O — CID 107854185

IUPAC1-[2-(3-methoxyphenyl)ethyl]-3-propylpiperazine
SMILESCCCC1CN(CCc2cccc(OC)c2)CCN1
InChIInChI=1S/C16H26N2O/c1-3-5-15-13-18(11-9-17-15)10-8-14-6-4-7-16(12-14)19-2/h4,6-7,12,15,17H,3,5,8-11,13H2,1-2H3
InChIKeyZURDRSDOHFEUDR-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.31
Rot. Bonds6

About 1-[2-(3-methoxyphenyl)ethyl]-3-propylpiperazine

1-[2-(3-methoxyphenyl)ethyl]-3-propylpiperazine (PubChem CID 107854185) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-[2-(3-methoxyphenyl)ethyl]-3-propylpiperazine.

Molecular Properties

Compound Name1-[2-(3-methoxyphenyl)ethyl]-3-propylpiperazine
PubChem CID107854185
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-[2-(3-methoxyphenyl)ethyl]-3-propylpiperazine
SMILESCCCC1CN(CCc2cccc(OC)c2)CCN1
InChIInChI=1S/C16H26N2O/c1-3-5-15-13-18(11-9-17-15)10-8-14-6-4-7-16(12-14)19-2/h4,6-7,12,15,17H,3,5,8-11,13H2,1-2H3
InChIKeyZURDRSDOHFEUDR-UHFFFAOYSA-N
XLogP2.31
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 ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-methoxyphenyl)ethyl]pyrrolidin-3-amine
CID 82158725
3-[2-(2,5-dimethoxyphenyl)ethyl]-1-(3-phenylpropyl)piperazine;dihydrochloride
CID 67634191
2-[2-(3-methoxyphenyl)ethyl]azepane
CID 113443145
1-[(2-fluoro-3-methoxyphenyl)methyl]-3-propylpiperazine
CID 104795217
1-[2-(3-methoxyphenyl)ethyl]piperidin-4-ol
CID 82083424
1-[2-(3-methoxyphenyl)ethyl]-N-propylpiperidin-4-amine
CID 107852949
1-[4-(3-methoxyphenyl)butyl]piperazine
CID 94267853
[4-[2-(3-chlorophenyl)ethyl]piperazin-2-yl]methanol
CID 83730119
3-[[(3R)-3-propylpiperazin-1-yl]methyl]benzoic acid
CID 45072728
1-[2-(4-bromophenoxy)ethyl]-3-propylpiperazine
CID 64832801
3-benzyl-1-(2-phenylethyl)piperazine
CID 64832904
1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-3-propylpiperazine
CID 82895805

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methoxyphenyl)ethyl]-3-propylpiperazine?
The IUPAC name of 1-[2-(3-methoxyphenyl)ethyl]-3-propylpiperazine (CID 107854185) is 1-[2-(3-methoxyphenyl)ethyl]-3-propylpiperazine.
What is the SMILES notation for 1-[2-(3-methoxyphenyl)ethyl]-3-propylpiperazine?
The canonical SMILES for 1-[2-(3-methoxyphenyl)ethyl]-3-propylpiperazine is CCCC1CN(CCc2cccc(OC)c2)CCN1.
What is the InChIKey of 1-[2-(3-methoxyphenyl)ethyl]-3-propylpiperazine?
The InChIKey is ZURDRSDOHFEUDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-3-5-15-13-18(11-9-17-15)10-8-14-6-4-7-16(12-14)19-2/h4,6-7,12,15,17H,3,5,8-11,13H2,1-2H3.
What are the key properties of 1-[2-(3-methoxyphenyl)ethyl]-3-propylpiperazine?
1-[2-(3-methoxyphenyl)ethyl]-3-propylpiperazine has a molecular weight of 262.40 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methoxyphenyl)ethyl]-3-propylpiperazine is sourced from PubChem (CID 107854185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).