ethyl 2,2-dimethyl-4-phenylpiperazine-1-carboxylate

C15H22N2O2 — CID 110708479

IUPACethyl 2,2-dimethyl-4-phenylpiperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2ccccc2)CC1(C)C
InChIInChI=1S/C15H22N2O2/c1-4-19-14(18)17-11-10-16(12-15(17,2)3)13-8-6-5-7-9-13/h5-9H,4,10-12H2,1-3H3
InChIKeyVRYOHFLWYYIXAO-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.74
Rot. Bonds2

About ethyl 2,2-dimethyl-4-phenylpiperazine-1-carboxylate

ethyl 2,2-dimethyl-4-phenylpiperazine-1-carboxylate (PubChem CID 110708479) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is ethyl 2,2-dimethyl-4-phenylpiperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 2,2-dimethyl-4-phenylpiperazine-1-carboxylate
PubChem CID110708479
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Nameethyl 2,2-dimethyl-4-phenylpiperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2ccccc2)CC1(C)C
InChIInChI=1S/C15H22N2O2/c1-4-19-14(18)17-11-10-16(12-15(17,2)3)13-8-6-5-7-9-13/h5-9H,4,10-12H2,1-3H3
InChIKeyVRYOHFLWYYIXAO-UHFFFAOYSA-N
XLogP2.74
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-methyl-1-phenylazetidine-3-carboxylate
CID 134994378
3-(2,2-dimethyl-4-phenylpiperazine-1-carbonyl)-1H-pyridazin-6-one
CID 110741223
ethyl 2-(4-phenylpiperazin-1-yl)acetate
CID 3044259
ethyl 2-methyl-4-phenylpiperazine-1-carboxylate
CID 110707926
ethyl 4-oxo-4-(4-phenylpiperazin-1-yl)butanoate
CID 60636216
ethyl 4-(4-phenylpiperazin-1-yl)piperidine-1-carboxylate
CID 3469280
ethyl 2-(7-oxo-4-phenyl-1,4-diazepan-1-yl)acetate
CID 22008730
ethyl 3,5-dinitro-4-(4-phenylpiperazin-1-yl)benzoate
CID 132593814
tert-butyl 4-(6-ethoxycarbonyl-3-methyl-2-pyridinyl)-2,2-dimethylpiperazine-1-carboxylate
CID 134296931
ethyl 3-hydroxy-4-(4-phenylpiperazin-1-yl)butanoate
CID 82771388
ethyl (1R,5S)-3-phenyl-3-azabicyclo[3.1.0]hexane-6-carboxylate
CID 153306997
ethyl 3-phenyl-3-azabicyclo[3.1.0]hexane-6-carboxylate
CID 89462859

Frequently Asked Questions

What is the IUPAC name of ethyl 2,2-dimethyl-4-phenylpiperazine-1-carboxylate?
The IUPAC name of ethyl 2,2-dimethyl-4-phenylpiperazine-1-carboxylate (CID 110708479) is ethyl 2,2-dimethyl-4-phenylpiperazine-1-carboxylate.
What is the SMILES notation for ethyl 2,2-dimethyl-4-phenylpiperazine-1-carboxylate?
The canonical SMILES for ethyl 2,2-dimethyl-4-phenylpiperazine-1-carboxylate is CCOC(=O)N1CCN(c2ccccc2)CC1(C)C.
What is the InChIKey of ethyl 2,2-dimethyl-4-phenylpiperazine-1-carboxylate?
The InChIKey is VRYOHFLWYYIXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-4-19-14(18)17-11-10-16(12-15(17,2)3)13-8-6-5-7-9-13/h5-9H,4,10-12H2,1-3H3.
What are the key properties of ethyl 2,2-dimethyl-4-phenylpiperazine-1-carboxylate?
ethyl 2,2-dimethyl-4-phenylpiperazine-1-carboxylate has a molecular weight of 262.35 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,2-dimethyl-4-phenylpiperazine-1-carboxylate is sourced from PubChem (CID 110708479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).