ethyl 2-methyl-4-phenylpiperazine-1-carboxylate

C14H20N2O2 — CID 110707926

IUPACethyl 2-methyl-4-phenylpiperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2ccccc2)CC1C
InChIInChI=1S/C14H20N2O2/c1-3-18-14(17)16-10-9-15(11-12(16)2)13-7-5-4-6-8-13/h4-8,12H,3,9-11H2,1-2H3
InChIKeyXUCSEXGTZYYJLP-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.35
Rot. Bonds2

About ethyl 2-methyl-4-phenylpiperazine-1-carboxylate

ethyl 2-methyl-4-phenylpiperazine-1-carboxylate (PubChem CID 110707926) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is ethyl 2-methyl-4-phenylpiperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-methyl-4-phenylpiperazine-1-carboxylate
PubChem CID110707926
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Nameethyl 2-methyl-4-phenylpiperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2ccccc2)CC1C
InChIInChI=1S/C14H20N2O2/c1-3-18-14(17)16-10-9-15(11-12(16)2)13-7-5-4-6-8-13/h4-8,12H,3,9-11H2,1-2H3
InChIKeyXUCSEXGTZYYJLP-UHFFFAOYSA-N
XLogP2.35
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2R)-2-methyl-4-phenylpiperazin-1-yl]-3-pyrrol-1-ylpropan-1-one
CID 95549415
N-benzyl-2-methyl-4-phenylpiperazine-1-carboxamide
CID 110746835
ethyl 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-4-phenylpiperazine-1-carboxylate
CID 90752050
ethyl 3-methyl-4-phenylpiperazine-1-carboxylate
CID 110658014
N-methyl-N-[3-[(2R)-2-methyl-4-phenylpiperazin-1-yl]-3-oxopropyl]methanesulfonamide
CID 95552114
ethyl (2R)-2-methylaziridine-1-carboxylate
CID 129364107
benzyl 4-ethyl-2-methylpiperazine-1-carboxylate
CID 71023009
benzyl (2S)-4-ethyl-2-methylpiperazine-1-carboxylate
CID 71023012
benzyl 2,4-dimethylpiperazine-1-carboxylate
CID 110707785
ethyl N-[(1-phenylpyrrolidin-3-yl)methyl]carbamate
CID 110640322
2-(2-methylprop-2-enoxy)ethyl 4-(2-methyl-4-phenylpiperazin-1-yl)-4-oxobutanoate
CID 173307540
1-[(2S)-4-ethyl-2-methylpiperazin-1-yl]-4-(4-phenylpiperazin-1-yl)butan-1-one
CID 124881894

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-4-phenylpiperazine-1-carboxylate?
The IUPAC name of ethyl 2-methyl-4-phenylpiperazine-1-carboxylate (CID 110707926) is ethyl 2-methyl-4-phenylpiperazine-1-carboxylate.
What is the SMILES notation for ethyl 2-methyl-4-phenylpiperazine-1-carboxylate?
The canonical SMILES for ethyl 2-methyl-4-phenylpiperazine-1-carboxylate is CCOC(=O)N1CCN(c2ccccc2)CC1C.
What is the InChIKey of ethyl 2-methyl-4-phenylpiperazine-1-carboxylate?
The InChIKey is XUCSEXGTZYYJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-3-18-14(17)16-10-9-15(11-12(16)2)13-7-5-4-6-8-13/h4-8,12H,3,9-11H2,1-2H3.
What are the key properties of ethyl 2-methyl-4-phenylpiperazine-1-carboxylate?
ethyl 2-methyl-4-phenylpiperazine-1-carboxylate has a molecular weight of 248.33 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-4-phenylpiperazine-1-carboxylate is sourced from PubChem (CID 110707926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).