methyl 4-(3-phenylprop-2-enyl)piperazine-2-carboxylate

C15H20N2O2 — CID 123254803

IUPACmethyl 4-(3-phenylprop-2-enyl)piperazine-2-carboxylate
SMILESCOC(=O)C1CN(CC=Cc2ccccc2)CCN1
InChIInChI=1S/C15H20N2O2/c1-19-15(18)14-12-17(11-9-16-14)10-5-8-13-6-3-2-4-7-13/h2-8,14,16H,9-12H2,1H3
InChIKeyWDHITSGROLALJE-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.15
Rot. Bonds4

About methyl 4-(3-phenylprop-2-enyl)piperazine-2-carboxylate

methyl 4-(3-phenylprop-2-enyl)piperazine-2-carboxylate (PubChem CID 123254803) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is methyl 4-(3-phenylprop-2-enyl)piperazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(3-phenylprop-2-enyl)piperazine-2-carboxylate
PubChem CID123254803
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Namemethyl 4-(3-phenylprop-2-enyl)piperazine-2-carboxylate
SMILESCOC(=O)C1CN(CC=Cc2ccccc2)CCN1
InChIInChI=1S/C15H20N2O2/c1-19-15(18)14-12-17(11-9-16-14)10-5-8-13-6-3-2-4-7-13/h2-8,14,16H,9-12H2,1H3
InChIKeyWDHITSGROLALJE-UHFFFAOYSA-N
XLogP1.15
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[4-[(E)-3-phenylprop-2-enyl]morpholin-2-yl]acetate
CID 75361746
1-(3-phenylprop-2-enyl)pyrrolidine-3-carboxylic acid
CID 76985412
methyl (2S,4S)-4-hydroxy-1-(3-phenylprop-2-enyl)pyrrolidine-2-carboxylate
CID 71969468
1-O-benzyl 3-O-methyl (3S)-piperazine-1,3-dicarboxylate;hydrochloride
CID 45072570
N-[1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]acetamide
CID 172882645
(3R)-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-3-ol
CID 129368573
1-(4-acetylpiperazin-1-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethane-1,2-dione
CID 108984484
1-(3-phenylprop-2-enyl)imidazolidine
CID 161124295
[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone
CID 110757208
(2S)-2-methoxy-2-phenyl-N-[[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]methyl]acetamide
CID 131896747
2-[1-(3-phenylprop-2-enyl)piperidin-3-yl]acetic acid
CID 76954218
methyl 3-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]benzoate
CID 8544540

Frequently Asked Questions

What is the IUPAC name of methyl 4-(3-phenylprop-2-enyl)piperazine-2-carboxylate?
The IUPAC name of methyl 4-(3-phenylprop-2-enyl)piperazine-2-carboxylate (CID 123254803) is methyl 4-(3-phenylprop-2-enyl)piperazine-2-carboxylate.
What is the SMILES notation for methyl 4-(3-phenylprop-2-enyl)piperazine-2-carboxylate?
The canonical SMILES for methyl 4-(3-phenylprop-2-enyl)piperazine-2-carboxylate is COC(=O)C1CN(CC=Cc2ccccc2)CCN1.
What is the InChIKey of methyl 4-(3-phenylprop-2-enyl)piperazine-2-carboxylate?
The InChIKey is WDHITSGROLALJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-19-15(18)14-12-17(11-9-16-14)10-5-8-13-6-3-2-4-7-13/h2-8,14,16H,9-12H2,1H3.
What are the key properties of methyl 4-(3-phenylprop-2-enyl)piperazine-2-carboxylate?
methyl 4-(3-phenylprop-2-enyl)piperazine-2-carboxylate has a molecular weight of 260.34 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3-phenylprop-2-enyl)piperazine-2-carboxylate is sourced from PubChem (CID 123254803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).