ethyl 2-(3-hydroxyphenyl)-2-piperazin-1-ylacetate

C14H20N2O3 — CID 54894698

IUPACethyl 2-(3-hydroxyphenyl)-2-piperazin-1-ylacetate
SMILESCCOC(=O)C(c1cccc(O)c1)N1CCNCC1
InChIInChI=1S/C14H20N2O3/c1-2-19-14(18)13(16-8-6-15-7-9-16)11-4-3-5-12(17)10-11/h3-5,10,13,15,17H,2,6-9H2,1H3
InChIKeyCSLHXWXYECNKEO-UHFFFAOYSA-N
MW264.32 g/mol
LogP0.90
Rot. Bonds4

About ethyl 2-(3-hydroxyphenyl)-2-piperazin-1-ylacetate

ethyl 2-(3-hydroxyphenyl)-2-piperazin-1-ylacetate (PubChem CID 54894698) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is ethyl 2-(3-hydroxyphenyl)-2-piperazin-1-ylacetate.

Molecular Properties

Compound Nameethyl 2-(3-hydroxyphenyl)-2-piperazin-1-ylacetate
PubChem CID54894698
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Nameethyl 2-(3-hydroxyphenyl)-2-piperazin-1-ylacetate
SMILESCCOC(=O)C(c1cccc(O)c1)N1CCNCC1
InChIInChI=1S/C14H20N2O3/c1-2-19-14(18)13(16-8-6-15-7-9-16)11-4-3-5-12(17)10-11/h3-5,10,13,15,17H,2,6-9H2,1H3
InChIKeyCSLHXWXYECNKEO-UHFFFAOYSA-N
XLogP0.90
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(3-hydroxyphenyl)-2-piperazin-1-ylacetate
CID 54894645
ethyl 2-(3-bromo-4-chlorophenyl)-2-piperazin-1-ylacetate
CID 83230459
2-(1,4-diazepan-1-yl)-2-(3-hydroxyphenyl)acetic acid
CID 54890579
ethyl 2-(3-methylphenyl)-2-piperidin-1-ylacetate
CID 154339039
ethyl 2-(6-methyl-3-pyridinyl)-2-piperazin-1-ylacetate
CID 104822559
3-(1-piperazin-1-ylpropyl)phenol;dihydrochloride
CID 23080544
2-(3-hydroxyphenyl)-1-(4-methylpiperidin-1-yl)-2-piperazin-1-ylethanone
CID 83977975
ethyl 2-(4-bromophenyl)-2-(1,4-diazepan-1-yl)acetate
CID 60992975
2-(3-hydroxyphenyl)-1-(4-hydroxypiperidin-1-yl)-2-piperazin-1-ylethanone
CID 83977979
3-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]phenol
CID 171272827
ethyl 3-(3-hydroxyphenyl)-2-methylbutanoate
CID 71083668
3-[(1R)-3-hydroxy-1-piperazin-1-ylpropyl]phenol
CID 171188985

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-hydroxyphenyl)-2-piperazin-1-ylacetate?
The IUPAC name of ethyl 2-(3-hydroxyphenyl)-2-piperazin-1-ylacetate (CID 54894698) is ethyl 2-(3-hydroxyphenyl)-2-piperazin-1-ylacetate.
What is the SMILES notation for ethyl 2-(3-hydroxyphenyl)-2-piperazin-1-ylacetate?
The canonical SMILES for ethyl 2-(3-hydroxyphenyl)-2-piperazin-1-ylacetate is CCOC(=O)C(c1cccc(O)c1)N1CCNCC1.
What is the InChIKey of ethyl 2-(3-hydroxyphenyl)-2-piperazin-1-ylacetate?
The InChIKey is CSLHXWXYECNKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-2-19-14(18)13(16-8-6-15-7-9-16)11-4-3-5-12(17)10-11/h3-5,10,13,15,17H,2,6-9H2,1H3.
What are the key properties of ethyl 2-(3-hydroxyphenyl)-2-piperazin-1-ylacetate?
ethyl 2-(3-hydroxyphenyl)-2-piperazin-1-ylacetate has a molecular weight of 264.32 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-hydroxyphenyl)-2-piperazin-1-ylacetate is sourced from PubChem (CID 54894698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).