methyl 2-methoxy-2-(4-phenylpiperazin-1-yl)acetate

C14H20N2O3 — CID 102038565

IUPACmethyl 2-methoxy-2-(4-phenylpiperazin-1-yl)acetate
SMILESCOC(=O)C(OC)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C14H20N2O3/c1-18-13(14(17)19-2)16-10-8-15(9-11-16)12-6-4-3-5-7-12/h3-7,13H,8-11H2,1-2H3
InChIKeyRCPUNNJOJPLSPO-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.95
Rot. Bonds4

About methyl 2-methoxy-2-(4-phenylpiperazin-1-yl)acetate

methyl 2-methoxy-2-(4-phenylpiperazin-1-yl)acetate (PubChem CID 102038565) has the molecular formula C14H20N2O3 and a molecular weight of 264.33 g/mol. Its IUPAC name is methyl 2-methoxy-2-(4-phenylpiperazin-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-methoxy-2-(4-phenylpiperazin-1-yl)acetate
PubChem CID102038565
Molecular FormulaC14H20N2O3
Molecular Weight264.33 g/mol
Exact Mass264.15
IUPAC Namemethyl 2-methoxy-2-(4-phenylpiperazin-1-yl)acetate
SMILESCOC(=O)C(OC)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C14H20N2O3/c1-18-13(14(17)19-2)16-10-8-15(9-11-16)12-6-4-3-5-7-12/h3-7,13H,8-11H2,1-2H3
InChIKeyRCPUNNJOJPLSPO-UHFFFAOYSA-N
XLogP0.95
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(4-phenylpiperazin-1-yl)pentanoate
CID 43906551
methyl (2S)-2-(4-fluorophenyl)-2-(4-phenylpiperazin-1-yl)acetate
CID 7327391
methyl 2-(4-fluorophenyl)-2-(4-phenylpiperazin-1-yl)acetate bromide
CID 43831496
(2R)-N-[(1S)-1-phenylethyl]-2-(4-phenylpiperazin-1-yl)propanamide
CID 40940116
(2R)-3-methyl-2-(4-phenylpiperazin-1-yl)butanehydrazide
CID 30403786
4-amino-3-methoxy-N-[2-(4-phenylpiperazin-1-yl)propyl]butanamide;trihydrochloride
CID 120597574
(2R)-1,2-bis(4-phenylpiperazin-1-yl)propan-1-one
CID 9250288
2-methylidene-3-(4-phenylpiperazin-1-yl)butanamide
CID 174726722
methyl (2S)-3-[[(2S)-2-hydroxy-3-(4-phenylpiperazin-1-yl)propyl]-methylamino]-2-methylpropanoate
CID 95151612
methyl 4-methyl-2-[(4-phenylpiperazine-1-carbonyl)amino]pentanoate
CID 3938457
ethyl 2-oxo-2-[[(1R,2S)-1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]amino]acetate
CID 51862586
1-(4-phenylpiperazin-1-yl)propane-1,2-diol
CID 18784131

Frequently Asked Questions

What is the IUPAC name of methyl 2-methoxy-2-(4-phenylpiperazin-1-yl)acetate?
The IUPAC name of methyl 2-methoxy-2-(4-phenylpiperazin-1-yl)acetate (CID 102038565) is methyl 2-methoxy-2-(4-phenylpiperazin-1-yl)acetate.
What is the SMILES notation for methyl 2-methoxy-2-(4-phenylpiperazin-1-yl)acetate?
The canonical SMILES for methyl 2-methoxy-2-(4-phenylpiperazin-1-yl)acetate is COC(=O)C(OC)N1CCN(c2ccccc2)CC1.
What is the InChIKey of methyl 2-methoxy-2-(4-phenylpiperazin-1-yl)acetate?
The InChIKey is RCPUNNJOJPLSPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-18-13(14(17)19-2)16-10-8-15(9-11-16)12-6-4-3-5-7-12/h3-7,13H,8-11H2,1-2H3.
What are the key properties of methyl 2-methoxy-2-(4-phenylpiperazin-1-yl)acetate?
methyl 2-methoxy-2-(4-phenylpiperazin-1-yl)acetate has a molecular weight of 264.33 g/mol, XLogP of 0.95, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methoxy-2-(4-phenylpiperazin-1-yl)acetate is sourced from PubChem (CID 102038565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).