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

C13H18N2O3 — CID 54894645

IUPACmethyl 2-(3-hydroxyphenyl)-2-piperazin-1-ylacetate
SMILESCOC(=O)C(c1cccc(O)c1)N1CCNCC1
InChIInChI=1S/C13H18N2O3/c1-18-13(17)12(15-7-5-14-6-8-15)10-3-2-4-11(16)9-10/h2-4,9,12,14,16H,5-8H2,1H3
InChIKeyZFYLCJKJJKCQRV-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.51
Rot. Bonds3

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

methyl 2-(3-hydroxyphenyl)-2-piperazin-1-ylacetate (PubChem CID 54894645) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is methyl 2-(3-hydroxyphenyl)-2-piperazin-1-ylacetate.

Molecular Properties

Compound Namemethyl 2-(3-hydroxyphenyl)-2-piperazin-1-ylacetate
PubChem CID54894645
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Namemethyl 2-(3-hydroxyphenyl)-2-piperazin-1-ylacetate
SMILESCOC(=O)C(c1cccc(O)c1)N1CCNCC1
InChIInChI=1S/C13H18N2O3/c1-18-13(17)12(15-7-5-14-6-8-15)10-3-2-4-11(16)9-10/h2-4,9,12,14,16H,5-8H2,1H3
InChIKeyZFYLCJKJJKCQRV-UHFFFAOYSA-N
XLogP0.51
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(3-hydroxyphenyl)-2-piperazin-1-ylacetate
CID 54894698
2-(1,4-diazepan-1-yl)-2-(3-hydroxyphenyl)acetic acid
CID 54890579
methyl (2R)-2-(4-chlorophenyl)-2-piperazin-1-ylacetate
CID 28819369
2-(3-hydroxyphenyl)-1-(4-methylpiperidin-1-yl)-2-piperazin-1-ylethanone
CID 83977975
methyl 2-(1,4-diazepan-1-yl)-2-(3,4-dimethylphenyl)acetate
CID 60993819
2-(3-hydroxyphenyl)-1-(4-hydroxypiperidin-1-yl)-2-piperazin-1-ylethanone
CID 83977979
methyl 2-piperazin-1-yl-2-thiophen-2-ylacetate
CID 61347523
methyl 2-(3-bromo-4-fluorophenyl)-2-(1,4-diazepan-1-yl)acetate
CID 60994255
methyl 2-(4-chlorophenyl)-2-(1,4-diazepan-1-yl)acetate
CID 54890533
methyl 2-(3-fluorophenyl)-2-morpholin-4-ylacetate
CID 116860419
methyl 2-phenyl-2-(4-piperidin-4-ylpiperidin-1-yl)acetate
CID 146045375
3-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]phenol
CID 171272827

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-hydroxyphenyl)-2-piperazin-1-ylacetate?
The IUPAC name of methyl 2-(3-hydroxyphenyl)-2-piperazin-1-ylacetate (CID 54894645) is methyl 2-(3-hydroxyphenyl)-2-piperazin-1-ylacetate.
What is the SMILES notation for methyl 2-(3-hydroxyphenyl)-2-piperazin-1-ylacetate?
The canonical SMILES for methyl 2-(3-hydroxyphenyl)-2-piperazin-1-ylacetate is COC(=O)C(c1cccc(O)c1)N1CCNCC1.
What is the InChIKey of methyl 2-(3-hydroxyphenyl)-2-piperazin-1-ylacetate?
The InChIKey is ZFYLCJKJJKCQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-18-13(17)12(15-7-5-14-6-8-15)10-3-2-4-11(16)9-10/h2-4,9,12,14,16H,5-8H2,1H3.
What are the key properties of methyl 2-(3-hydroxyphenyl)-2-piperazin-1-ylacetate?
methyl 2-(3-hydroxyphenyl)-2-piperazin-1-ylacetate has a molecular weight of 250.30 g/mol, XLogP of 0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-hydroxyphenyl)-2-piperazin-1-ylacetate is sourced from PubChem (CID 54894645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).