benzyl 2-(4-methylpiperazin-1-yl)-2-phenylacetate

C20H24N2O2 — CID 66648860

IUPACbenzyl 2-(4-methylpiperazin-1-yl)-2-phenylacetate
SMILESCN1CCN(C(C(=O)OCc2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C20H24N2O2/c1-21-12-14-22(15-13-21)19(18-10-6-3-7-11-18)20(23)24-16-17-8-4-2-5-9-17/h2-11,19H,12-16H2,1H3
InChIKeyMZGZFSCCDFOQOY-UHFFFAOYSA-N
MW324.42 g/mol
LogP2.72
Rot. Bonds5

About benzyl 2-(4-methylpiperazin-1-yl)-2-phenylacetate

benzyl 2-(4-methylpiperazin-1-yl)-2-phenylacetate (PubChem CID 66648860) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is benzyl 2-(4-methylpiperazin-1-yl)-2-phenylacetate.

Molecular Properties

Compound Namebenzyl 2-(4-methylpiperazin-1-yl)-2-phenylacetate
PubChem CID66648860
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Namebenzyl 2-(4-methylpiperazin-1-yl)-2-phenylacetate
SMILESCN1CCN(C(C(=O)OCc2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C20H24N2O2/c1-21-12-14-22(15-13-21)19(18-10-6-3-7-11-18)20(23)24-16-17-8-4-2-5-9-17/h2-11,19H,12-16H2,1H3
InChIKeyMZGZFSCCDFOQOY-UHFFFAOYSA-N
XLogP2.72
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(4-methyl-1,4-diazepan-1-yl)-2-phenylacetate
CID 103600878
benzyl 4-[(1R)-3-methyl-2-oxo-1-phenylbutyl]piperazine-1-carboxylate
CID 59470746
2-[[2-(4-methylpiperazin-1-yl)-2-phenylacetyl]amino]acetic acid
CID 119350173
(2R)-2-(4-methylpiperazin-1-yl)-2-phenyl-N-propylacetamide
CID 94820416
4-(2-methoxy-2-oxo-1-phenylethyl)piperazine-1-carboxylic acid
CID 22353154
propyl (2S)-2-phenyl-2-piperidin-1-ylacetate
CID 97355368
(2S)-N-cyclopropyl-2-(4-methylpiperazin-1-yl)-2-phenylacetamide
CID 9033055
ethyl 2-phenyl-2-(4-propan-2-ylpiperidin-1-yl)acetate
CID 106677310
ethyl 2-(4-oxopiperidin-1-yl)-2-phenylacetate;2-phenylacetic acid
CID 135312522
ethyl 2-(4-benzylpiperazin-1-yl)-2-(4-phenylphenyl)acetate
CID 121454645
methyl 2-phenyl-2-piperidin-1-ylacetate
CID 12957460
benzyl (2R)-2-hydroxy-2-phenylacetate
CID 853755

Frequently Asked Questions

What is the IUPAC name of benzyl 2-(4-methylpiperazin-1-yl)-2-phenylacetate?
The IUPAC name of benzyl 2-(4-methylpiperazin-1-yl)-2-phenylacetate (CID 66648860) is benzyl 2-(4-methylpiperazin-1-yl)-2-phenylacetate.
What is the SMILES notation for benzyl 2-(4-methylpiperazin-1-yl)-2-phenylacetate?
The canonical SMILES for benzyl 2-(4-methylpiperazin-1-yl)-2-phenylacetate is CN1CCN(C(C(=O)OCc2ccccc2)c2ccccc2)CC1.
What is the InChIKey of benzyl 2-(4-methylpiperazin-1-yl)-2-phenylacetate?
The InChIKey is MZGZFSCCDFOQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-21-12-14-22(15-13-21)19(18-10-6-3-7-11-18)20(23)24-16-17-8-4-2-5-9-17/h2-11,19H,12-16H2,1H3.
What are the key properties of benzyl 2-(4-methylpiperazin-1-yl)-2-phenylacetate?
benzyl 2-(4-methylpiperazin-1-yl)-2-phenylacetate has a molecular weight of 324.42 g/mol, XLogP of 2.72, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-(4-methylpiperazin-1-yl)-2-phenylacetate is sourced from PubChem (CID 66648860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).