methyl 4-methyl-3-phenylpiperazine-1-carboxylate

C13H18N2O2 — CID 110602881

IUPACmethyl 4-methyl-3-phenylpiperazine-1-carboxylate
SMILESCOC(=O)N1CCN(C)C(c2ccccc2)C1
InChIInChI=1S/C13H18N2O2/c1-14-8-9-15(13(16)17-2)10-12(14)11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3
InChIKeyFPUVPMKWIBPYDF-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.74
Rot. Bonds1

About methyl 4-methyl-3-phenylpiperazine-1-carboxylate

methyl 4-methyl-3-phenylpiperazine-1-carboxylate (PubChem CID 110602881) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is methyl 4-methyl-3-phenylpiperazine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-3-phenylpiperazine-1-carboxylate
PubChem CID110602881
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Namemethyl 4-methyl-3-phenylpiperazine-1-carboxylate
SMILESCOC(=O)N1CCN(C)C(c2ccccc2)C1
InChIInChI=1S/C13H18N2O2/c1-14-8-9-15(13(16)17-2)10-12(14)11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3
InChIKeyFPUVPMKWIBPYDF-UHFFFAOYSA-N
XLogP1.74
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methoxyphenyl)-(4-methyl-3-phenylpiperazin-1-yl)methanone
CID 110418480
(4-methyl-3-phenylpiperazin-1-yl)-pyridazin-4-ylmethanone
CID 86285379
(2-chlorophenyl)-(4-methyl-3-phenylpiperazin-1-yl)methanone
CID 110602874
1-(4-methyl-3-phenylpiperazin-1-yl)-2-pyrrolidin-1-ylethanone
CID 77095873
(4-methoxy-2-pyridinyl)-(4-methyl-3-phenylpiperazin-1-yl)methanone
CID 90652453
(2-fluorophenyl)-(4-methyl-3-phenylpiperazin-1-yl)methanone
CID 110418472
4-methyl-N-(oxan-4-yl)-3-phenylpiperazine-1-carboxamide
CID 110610555
tert-butyl 4-(4-methyl-3-phenylpiperazine-1-carbonyl)piperidine-1-carboxylate
CID 110610516
2-butoxy-1-(4-methyl-3-phenylpiperazin-1-yl)ethanone
CID 86285799
2-(4-methyl-3-phenylpiperazin-1-yl)-1-(4-methylpiperazin-1-yl)ethanone
CID 171387000
(4-methyl-3-phenylpiperazin-1-yl)-(1-pyrrolidin-1-ylcyclopentyl)methanone
CID 77086044
(4-methyl-3-phenylpiperazin-1-yl)-(4-pyrrol-1-ylphenyl)methanone
CID 110416835

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-3-phenylpiperazine-1-carboxylate?
The IUPAC name of methyl 4-methyl-3-phenylpiperazine-1-carboxylate (CID 110602881) is methyl 4-methyl-3-phenylpiperazine-1-carboxylate.
What is the SMILES notation for methyl 4-methyl-3-phenylpiperazine-1-carboxylate?
The canonical SMILES for methyl 4-methyl-3-phenylpiperazine-1-carboxylate is COC(=O)N1CCN(C)C(c2ccccc2)C1.
What is the InChIKey of methyl 4-methyl-3-phenylpiperazine-1-carboxylate?
The InChIKey is FPUVPMKWIBPYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-14-8-9-15(13(16)17-2)10-12(14)11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3.
What are the key properties of methyl 4-methyl-3-phenylpiperazine-1-carboxylate?
methyl 4-methyl-3-phenylpiperazine-1-carboxylate has a molecular weight of 234.30 g/mol, XLogP of 1.74, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-3-phenylpiperazine-1-carboxylate is sourced from PubChem (CID 110602881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).