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

C14H20N2O2 — CID 110658014

IUPACethyl 3-methyl-4-phenylpiperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2ccccc2)C(C)C1
InChIInChI=1S/C14H20N2O2/c1-3-18-14(17)15-9-10-16(12(2)11-15)13-7-5-4-6-8-13/h4-8,12H,3,9-11H2,1-2H3
InChIKeyQLPPMQFDHCYMOK-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.35
Rot. Bonds2

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

ethyl 3-methyl-4-phenylpiperazine-1-carboxylate (PubChem CID 110658014) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is ethyl 3-methyl-4-phenylpiperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-methyl-4-phenylpiperazine-1-carboxylate
PubChem CID110658014
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Nameethyl 3-methyl-4-phenylpiperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2ccccc2)C(C)C1
InChIInChI=1S/C14H20N2O2/c1-3-18-14(17)15-9-10-16(12(2)11-15)13-7-5-4-6-8-13/h4-8,12H,3,9-11H2,1-2H3
InChIKeyQLPPMQFDHCYMOK-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

ethyl 4-(1-phenylpyrrolidine-2-carbonyl)piperazine-1-carboxylate
CID 15158260
ethyl 4-benzyl-3,5-dimethylpiperazine-1-carboxylate
CID 110393902
tert-butyl 3-methyl-4-(4-methylphenyl)piperazine-1-carboxylate
CID 59853726
(3-methyl-4-phenylpiperazin-1-yl)-pyridin-2-ylmethanone
CID 110741099
ethyl 2-methyl-4-phenylpiperazine-1-carboxylate
CID 110707926
(2S,3R)-5-methyl-3-(3-methyl-4-phenylpiperazine-1-carbonyl)-2-propylhexanamide
CID 10126351
4-(4-methoxycarbonylphenyl)-3-methylpiperazine-1-carboxylic acid
CID 175133649
1-[4-(3-methyl-4-phenylpiperazine-1-carbonyl)piperidin-1-yl]ethanone
CID 110741110
2-(4-fluorophenoxy)-1-(3-methyl-4-phenylpiperazin-1-yl)ethanone
CID 110707721
butyl 4-(3-chloroquinoxalin-2-yl)-3-methylpiperazine-1-carboxylate
CID 91463376
ethyl 4-benzoylpiperazine-1-carboxylate
CID 3273572
ethyl 4-[2-(3,4-dioxo-8-phenyl-1,6,7,8a-tetrahydroimidazo[2,1-c][1,2,4]triazin-2-yl)acetyl]piperazine-1-carboxylate
CID 167998317

Frequently Asked Questions

What is the IUPAC name of ethyl 3-methyl-4-phenylpiperazine-1-carboxylate?
The IUPAC name of ethyl 3-methyl-4-phenylpiperazine-1-carboxylate (CID 110658014) is ethyl 3-methyl-4-phenylpiperazine-1-carboxylate.
What is the SMILES notation for ethyl 3-methyl-4-phenylpiperazine-1-carboxylate?
The canonical SMILES for ethyl 3-methyl-4-phenylpiperazine-1-carboxylate is CCOC(=O)N1CCN(c2ccccc2)C(C)C1.
What is the InChIKey of ethyl 3-methyl-4-phenylpiperazine-1-carboxylate?
The InChIKey is QLPPMQFDHCYMOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-3-18-14(17)15-9-10-16(12(2)11-15)13-7-5-4-6-8-13/h4-8,12H,3,9-11H2,1-2H3.
What are the key properties of ethyl 3-methyl-4-phenylpiperazine-1-carboxylate?
ethyl 3-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 3-methyl-4-phenylpiperazine-1-carboxylate is sourced from PubChem (CID 110658014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).