2-(2-ethoxy-2-phenoxyethyl)piperazine

C14H22N2O2 — CID 174650767

IUPAC2-(2-ethoxy-2-phenoxyethyl)piperazine
SMILESCCOC(CC1CNCCN1)Oc1ccccc1
InChIInChI=1S/C14H22N2O2/c1-2-17-14(10-12-11-15-8-9-16-12)18-13-6-4-3-5-7-13/h3-7,12,14-16H,2,8-11H2,1H3
InChIKeyRMSZBVDAMFCNEG-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.38
Rot. Bonds6

About 2-(2-ethoxy-2-phenoxyethyl)piperazine

2-(2-ethoxy-2-phenoxyethyl)piperazine (PubChem CID 174650767) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-(2-ethoxy-2-phenoxyethyl)piperazine.

Molecular Properties

Compound Name2-(2-ethoxy-2-phenoxyethyl)piperazine
PubChem CID174650767
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-(2-ethoxy-2-phenoxyethyl)piperazine
SMILESCCOC(CC1CNCCN1)Oc1ccccc1
InChIInChI=1S/C14H22N2O2/c1-2-17-14(10-12-11-15-8-9-16-12)18-13-6-4-3-5-7-13/h3-7,12,14-16H,2,8-11H2,1H3
InChIKeyRMSZBVDAMFCNEG-UHFFFAOYSA-N
XLogP1.38
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(phenoxymethyl)piperazine
CID 155904639
(2-ethoxy-2-phenoxyethyl)benzene
CID 54511534
2-(2-methoxypropyl)piperazine
CID 53405896
3-(2-phenoxypropyl)pyrrolidine
CID 105458119
(2S)-1-piperazin-2-ylpropan-2-ol;dihydrochloride
CID 175885575
2-(2-phenylethyl)piperazine;dihydrochloride
CID 67602755
triethoxy(piperazin-2-ylmethyl)silane
CID 174106836
2-ethoxy-2-phenoxyacetaldehyde
CID 173336659
4-ethoxy-2-methylidene-4-phenoxybutanoic acid
CID 66769514
2-(2-ethoxyphenoxy)piperazine
CID 139626395
2-(2,2-difluoroethyl)piperazine
CID 91803153
(2S)-2-[(4-phenylmethoxyphenyl)methyl]-1,4,7,10,13-pentazacyclopentadecane
CID 15386758

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxy-2-phenoxyethyl)piperazine?
The IUPAC name of 2-(2-ethoxy-2-phenoxyethyl)piperazine (CID 174650767) is 2-(2-ethoxy-2-phenoxyethyl)piperazine.
What is the SMILES notation for 2-(2-ethoxy-2-phenoxyethyl)piperazine?
The canonical SMILES for 2-(2-ethoxy-2-phenoxyethyl)piperazine is CCOC(CC1CNCCN1)Oc1ccccc1.
What is the InChIKey of 2-(2-ethoxy-2-phenoxyethyl)piperazine?
The InChIKey is RMSZBVDAMFCNEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-2-17-14(10-12-11-15-8-9-16-12)18-13-6-4-3-5-7-13/h3-7,12,14-16H,2,8-11H2,1H3.
What are the key properties of 2-(2-ethoxy-2-phenoxyethyl)piperazine?
2-(2-ethoxy-2-phenoxyethyl)piperazine has a molecular weight of 250.34 g/mol, XLogP of 1.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxy-2-phenoxyethyl)piperazine is sourced from PubChem (CID 174650767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).