ethyl 5,5-dimethyl-2-phenylpiperazine-1-carboxylate

C15H22N2O2 — CID 82246388

IUPACethyl 5,5-dimethyl-2-phenylpiperazine-1-carboxylate
SMILESCCOC(=O)N1CC(C)(C)NCC1c1ccccc1
InChIInChI=1S/C15H22N2O2/c1-4-19-14(18)17-11-15(2,3)16-10-13(17)12-8-6-5-7-9-12/h5-9,13,16H,4,10-11H2,1-3H3
InChIKeyTTWGUVIILBNMBT-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.57
Rot. Bonds2

About ethyl 5,5-dimethyl-2-phenylpiperazine-1-carboxylate

ethyl 5,5-dimethyl-2-phenylpiperazine-1-carboxylate (PubChem CID 82246388) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is ethyl 5,5-dimethyl-2-phenylpiperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 5,5-dimethyl-2-phenylpiperazine-1-carboxylate
PubChem CID82246388
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Nameethyl 5,5-dimethyl-2-phenylpiperazine-1-carboxylate
SMILESCCOC(=O)N1CC(C)(C)NCC1c1ccccc1
InChIInChI=1S/C15H22N2O2/c1-4-19-14(18)17-11-15(2,3)16-10-13(17)12-8-6-5-7-9-12/h5-9,13,16H,4,10-11H2,1-3H3
InChIKeyTTWGUVIILBNMBT-UHFFFAOYSA-N
XLogP2.57
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-phenylpiperidine-1-carboxylate
CID 12791774
1-(2-butoxyethyl)-5,5-dimethyl-2-phenylpiperazine
CID 64839744
1-(2-chlorophenyl)-5,5-dimethyl-2-phenylpiperazine
CID 64933933
ethyl 3-phenyl-3,4-dihydropyrazole-2-carboxylate
CID 3079077
ethyl 3-methyl-2-phenylpyrrolidine-1-carboxylate
CID 165407566
5,5-dimethyl-2-phenyl-1-(2-pyrrolidin-1-ylethyl)piperazine
CID 82250165
ethyl (7R,9R)-7,9-diphenyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate
CID 71613650
5-ethyl-1,5-dimethyl-2-phenylpiperazine
CID 64849289
5,5-dimethyl-1-(1-methylpyrazol-3-yl)-2-phenylpiperazine
CID 79786453
ethyl (7S,9S)-9-methyl-7-phenyl-1,4-dithia-8-azaspiro[4.5]decane-8-carboxylate
CID 71614429
diethyl (3R)-3,6-diphenyl-3,6-dihydropyridazine-1,2-dicarboxylate
CID 2755637
ethyl 2-(5-methyl-2-phenylpiperidin-1-yl)-2-oxoacetate
CID 164994233

Frequently Asked Questions

What is the IUPAC name of ethyl 5,5-dimethyl-2-phenylpiperazine-1-carboxylate?
The IUPAC name of ethyl 5,5-dimethyl-2-phenylpiperazine-1-carboxylate (CID 82246388) is ethyl 5,5-dimethyl-2-phenylpiperazine-1-carboxylate.
What is the SMILES notation for ethyl 5,5-dimethyl-2-phenylpiperazine-1-carboxylate?
The canonical SMILES for ethyl 5,5-dimethyl-2-phenylpiperazine-1-carboxylate is CCOC(=O)N1CC(C)(C)NCC1c1ccccc1.
What is the InChIKey of ethyl 5,5-dimethyl-2-phenylpiperazine-1-carboxylate?
The InChIKey is TTWGUVIILBNMBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-4-19-14(18)17-11-15(2,3)16-10-13(17)12-8-6-5-7-9-12/h5-9,13,16H,4,10-11H2,1-3H3.
What are the key properties of ethyl 5,5-dimethyl-2-phenylpiperazine-1-carboxylate?
ethyl 5,5-dimethyl-2-phenylpiperazine-1-carboxylate has a molecular weight of 262.35 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5,5-dimethyl-2-phenylpiperazine-1-carboxylate is sourced from PubChem (CID 82246388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).