(4-methylpiperazin-1-yl) 3-phenylprop-2-enoate

C14H18N2O2 — CID 67915043

IUPAC(4-methylpiperazin-1-yl) 3-phenylprop-2-enoate
SMILESCN1CCN(OC(=O)C=Cc2ccccc2)CC1
InChIInChI=1S/C14H18N2O2/c1-15-9-11-16(12-10-15)18-14(17)8-7-13-5-3-2-4-6-13/h2-8H,9-12H2,1H3
InChIKeyRUGAIXWXAAITSE-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.41
Rot. Bonds3

About (4-methylpiperazin-1-yl) 3-phenylprop-2-enoate

(4-methylpiperazin-1-yl) 3-phenylprop-2-enoate (PubChem CID 67915043) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl) 3-phenylprop-2-enoate.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl) 3-phenylprop-2-enoate
PubChem CID67915043
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name(4-methylpiperazin-1-yl) 3-phenylprop-2-enoate
SMILESCN1CCN(OC(=O)C=Cc2ccccc2)CC1
InChIInChI=1S/C14H18N2O2/c1-15-9-11-16(12-10-15)18-14(17)8-7-13-5-3-2-4-6-13/h2-8H,9-12H2,1H3
InChIKeyRUGAIXWXAAITSE-UHFFFAOYSA-N
XLogP1.41
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

piperidin-1-yl (E)-3-phenylprop-2-enoate
CID 135365277
N-(4-methylpiperazine-1-carbothioyl)-3-phenylprop-2-enamide
CID 4778588
methyl 3-[4-(4-methylpiperazin-1-yl)phenyl]prop-2-enoate
CID 169479706
ethane;phenyl 3-phenylprop-2-enoate
CID 90878305
methyl 3-[4-(2-phenylethenyl)phenyl]prop-2-enoate
CID 622059
acetyl 3-phenylprop-2-enoate
CID 57206996
(1-formylpiperidin-4-yl) (E)-3-phenylprop-2-enoate
CID 75443536
lanthanum;(E)-3-phenylprop-2-eneperoxoic acid
CID 122589716
amino 3-phenylprop-2-enoate
CID 67189797
dimethylamino (E)-3-phenylprop-2-enoate
CID 174325231
4-benzyl-1-[3-(4-fluorophenyl)prop-2-enoyloxy]piperidine-4-carboxylic acid
CID 90851802
2-phenylethenyl 3-phenylprop-2-enoate
CID 56982570

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl) 3-phenylprop-2-enoate?
The IUPAC name of (4-methylpiperazin-1-yl) 3-phenylprop-2-enoate (CID 67915043) is (4-methylpiperazin-1-yl) 3-phenylprop-2-enoate.
What is the SMILES notation for (4-methylpiperazin-1-yl) 3-phenylprop-2-enoate?
The canonical SMILES for (4-methylpiperazin-1-yl) 3-phenylprop-2-enoate is CN1CCN(OC(=O)C=Cc2ccccc2)CC1.
What is the InChIKey of (4-methylpiperazin-1-yl) 3-phenylprop-2-enoate?
The InChIKey is RUGAIXWXAAITSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-15-9-11-16(12-10-15)18-14(17)8-7-13-5-3-2-4-6-13/h2-8H,9-12H2,1H3.
What are the key properties of (4-methylpiperazin-1-yl) 3-phenylprop-2-enoate?
(4-methylpiperazin-1-yl) 3-phenylprop-2-enoate has a molecular weight of 246.31 g/mol, XLogP of 1.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl) 3-phenylprop-2-enoate is sourced from PubChem (CID 67915043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).