1-ethyl-4-[3-(4-methylphenoxy)propyl]piperazine

C16H26N2O — CID 170591311

IUPAC1-ethyl-4-[3-(4-methylphenoxy)propyl]piperazine
SMILESCCN1CCN(CCCOc2ccc(C)cc2)CC1
InChIInChI=1S/C16H26N2O/c1-3-17-10-12-18(13-11-17)9-4-14-19-16-7-5-15(2)6-8-16/h5-8H,3-4,9-14H2,1-2H3
InChIKeyFZWPLYRNFFFVEP-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.40
Rot. Bonds6

About 1-ethyl-4-[3-(4-methylphenoxy)propyl]piperazine

1-ethyl-4-[3-(4-methylphenoxy)propyl]piperazine (PubChem CID 170591311) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-ethyl-4-[3-(4-methylphenoxy)propyl]piperazine.

Molecular Properties

Compound Name1-ethyl-4-[3-(4-methylphenoxy)propyl]piperazine
PubChem CID170591311
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-ethyl-4-[3-(4-methylphenoxy)propyl]piperazine
SMILESCCN1CCN(CCCOc2ccc(C)cc2)CC1
InChIInChI=1S/C16H26N2O/c1-3-17-10-12-18(13-11-17)9-4-14-19-16-7-5-15(2)6-8-16/h5-8H,3-4,9-14H2,1-2H3
InChIKeyFZWPLYRNFFFVEP-UHFFFAOYSA-N
XLogP2.40
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-[3-(4-methylphenoxy)propyl]piperazin-1-yl]ethanamine
CID 19018057
1-ethyl-4-(3-phenoxypropyl)piperazine
CID 51072960
1-methyl-4-[3-(4-propoxyphenoxy)propyl]piperazine
CID 2993798
1-ethyl-4-[2-(4-fluorophenoxy)ethyl]piperazine
CID 1301156
1-[2-(4-bromophenoxy)ethyl]-4-ethylpiperazine
CID 60644690
1-ethyl-4-[2-(4-iodophenoxy)ethyl]piperazine
CID 1300408
1-[2-(4-ethylpiperazin-1-yl)ethyl]-2-methyl-3-[2-(4-methylphenoxy)ethyl]guanidine
CID 111277545
ethane;1-ethyl-4-[3-[(5-methyl-2-pyridinyl)oxy]propyl]piperazine;methanol
CID 142390979
N,N-dimethyl-2-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]ethanamine
CID 118464703
1-ethyl-4-[3-(4-nitrophenoxy)propyl]piperazine;oxalic acid
CID 2961425
4-[3-(4-methylpiperazin-1-yl)propoxy]aniline
CID 22124604
1-methyl-4-[3-(4-phenylphenoxy)propyl]piperazine;hydrochloride
CID 2995879

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[3-(4-methylphenoxy)propyl]piperazine?
The IUPAC name of 1-ethyl-4-[3-(4-methylphenoxy)propyl]piperazine (CID 170591311) is 1-ethyl-4-[3-(4-methylphenoxy)propyl]piperazine.
What is the SMILES notation for 1-ethyl-4-[3-(4-methylphenoxy)propyl]piperazine?
The canonical SMILES for 1-ethyl-4-[3-(4-methylphenoxy)propyl]piperazine is CCN1CCN(CCCOc2ccc(C)cc2)CC1.
What is the InChIKey of 1-ethyl-4-[3-(4-methylphenoxy)propyl]piperazine?
The InChIKey is FZWPLYRNFFFVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-3-17-10-12-18(13-11-17)9-4-14-19-16-7-5-15(2)6-8-16/h5-8H,3-4,9-14H2,1-2H3.
What are the key properties of 1-ethyl-4-[3-(4-methylphenoxy)propyl]piperazine?
1-ethyl-4-[3-(4-methylphenoxy)propyl]piperazine has a molecular weight of 262.40 g/mol, XLogP of 2.40, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[3-(4-methylphenoxy)propyl]piperazine is sourced from PubChem (CID 170591311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).