1-ethyl-4-(3-phenoxypropyl)piperazine

C15H24N2O — CID 51072960

IUPAC1-ethyl-4-(3-phenoxypropyl)piperazine
SMILESCCN1CCN(CCCOc2ccccc2)CC1
InChIInChI=1S/C15H24N2O/c1-2-16-10-12-17(13-11-16)9-6-14-18-15-7-4-3-5-8-15/h3-5,7-8H,2,6,9-14H2,1H3
InChIKeyANSAVWHULZVUSL-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.09
Rot. Bonds6

About 1-ethyl-4-(3-phenoxypropyl)piperazine

1-ethyl-4-(3-phenoxypropyl)piperazine (PubChem CID 51072960) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-ethyl-4-(3-phenoxypropyl)piperazine.

Molecular Properties

Compound Name1-ethyl-4-(3-phenoxypropyl)piperazine
PubChem CID51072960
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-ethyl-4-(3-phenoxypropyl)piperazine
SMILESCCN1CCN(CCCOc2ccccc2)CC1
InChIInChI=1S/C15H24N2O/c1-2-16-10-12-17(13-11-16)9-6-14-18-15-7-4-3-5-8-15/h3-5,7-8H,2,6,9-14H2,1H3
InChIKeyANSAVWHULZVUSL-UHFFFAOYSA-N
XLogP2.09
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.09
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

1-ethyl-4-[3-(4-methylphenoxy)propyl]piperazine
CID 170591311
1,4-bis(7-phenoxyheptyl)piperazine;dihydrochloride
CID 155568603
N-methyl-2-[4-(3-phenoxypropyl)piperazin-1-yl]ethanamine
CID 19018032
1-methyl-4-(5-phenoxypentyl)piperazine
CID 10515643
1-(3-phenoxypropyl)-4-phenylpiperazine;hydrochloride
CID 53329616
1-(3-phenoxypropyl)piperazine
CID 2760351
1-(2-bromoethyl)-4-(3-phenoxypropyl)-1,4-diazepane
CID 80668169
1-ethyl-4-[3-(2-phenylmethoxyphenoxy)propyl]piperazine
CID 2961785
1-methyl-4-[3-(4-phenylphenoxy)propyl]piperazine;hydrochloride
CID 2995879
1,4-bis(2-phenoxyethyl)-1,4-diazepane
CID 58861609
1-[3-(4-benzylphenoxy)propyl]-4-methylpiperazine
CID 2994905
2-[4-(3-phenoxypropyl)piperazin-1-yl]propanenitrile
CID 63339160

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(3-phenoxypropyl)piperazine?
The IUPAC name of 1-ethyl-4-(3-phenoxypropyl)piperazine (CID 51072960) is 1-ethyl-4-(3-phenoxypropyl)piperazine.
What is the SMILES notation for 1-ethyl-4-(3-phenoxypropyl)piperazine?
The canonical SMILES for 1-ethyl-4-(3-phenoxypropyl)piperazine is CCN1CCN(CCCOc2ccccc2)CC1.
What is the InChIKey of 1-ethyl-4-(3-phenoxypropyl)piperazine?
The InChIKey is ANSAVWHULZVUSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-2-16-10-12-17(13-11-16)9-6-14-18-15-7-4-3-5-8-15/h3-5,7-8H,2,6,9-14H2,1H3.
What are the key properties of 1-ethyl-4-(3-phenoxypropyl)piperazine?
1-ethyl-4-(3-phenoxypropyl)piperazine has a molecular weight of 248.37 g/mol, XLogP of 2.09, 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-phenoxypropyl)piperazine is sourced from PubChem (CID 51072960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).