2-piperidin-4-ylpropan-2-yl (E)-3-phenylprop-2-enoate

C17H23NO2 — CID 155075699

IUPAC2-piperidin-4-ylpropan-2-yl (E)-3-phenylprop-2-enoate
SMILESCC(C)(OC(=O)/C=C/c1ccccc1)C1CCNCC1
InChIInChI=1S/C17H23NO2/c1-17(2,15-10-12-18-13-11-15)20-16(19)9-8-14-6-4-3-5-7-14/h3-9,15,18H,10-13H2,1-2H3/b9-8+
InChIKeyKAURJPFTNBNZQY-CMDGGOBGSA-N
MW273.38 g/mol
LogP3.02
Rot. Bonds4

About 2-piperidin-4-ylpropan-2-yl (E)-3-phenylprop-2-enoate

2-piperidin-4-ylpropan-2-yl (E)-3-phenylprop-2-enoate (PubChem CID 155075699) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-piperidin-4-ylpropan-2-yl (E)-3-phenylprop-2-enoate.

Molecular Properties

Compound Name2-piperidin-4-ylpropan-2-yl (E)-3-phenylprop-2-enoate
PubChem CID155075699
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name2-piperidin-4-ylpropan-2-yl (E)-3-phenylprop-2-enoate
SMILESCC(C)(OC(=O)/C=C/c1ccccc1)C1CCNCC1
InChIInChI=1S/C17H23NO2/c1-17(2,15-10-12-18-13-11-15)20-16(19)9-8-14-6-4-3-5-7-14/h3-9,15,18H,10-13H2,1-2H3/b9-8+
InChIKeyKAURJPFTNBNZQY-CMDGGOBGSA-N
XLogP3.02
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-piperidin-4-ylpropan-2-yl (E)-3-phenylprop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-piperidin-4-ylpropan-2-yl (E)-3-(4-bromophenyl)prop-2-enoate
CID 155605294
2-piperidin-4-ylpropan-2-yl (E)-3-(4-chlorophenyl)prop-2-enoate
CID 155075688
2-piperidin-4-ylpropan-2-yl (E)-3-(4-aminophenyl)prop-2-enoate
CID 155075389
2-piperidin-4-ylpropan-2-yl (E)-3-(2-hydroxyphenyl)prop-2-enoate
CID 155075707
2-piperidin-4-ylpropan-2-yl (E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate
CID 155075540
2-[(1S)-4-methylcyclohex-3-en-1-yl]propan-2-yl (E)-3-phenylprop-2-enoate
CID 20838599
2-piperidin-4-ylpropan-2-yl 2-oxo-2-phenylacetate
CID 155075940
2-piperidin-4-ylpropan-2-yl 2-hydroxy-2,2-diphenylacetate
CID 155076034
2-piperidin-4-ylpropan-2-yl 3-methylbut-2-enoate
CID 155075946
2-piperidin-4-ylpropan-2-yl 2-hydroxy-2-phenylpropanoate
CID 155075328
2-piperidin-1-ium-4-ylpropan-2-yl (E)-3-(4-chlorophenyl)prop-2-enoate
CID 167314878
tetrakis(2-piperidin-4-ylpropan-2-yl) cyclobutane-1,2,3,4-tetracarboxylate
CID 155075585

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-ylpropan-2-yl (E)-3-phenylprop-2-enoate?
The IUPAC name of 2-piperidin-4-ylpropan-2-yl (E)-3-phenylprop-2-enoate (CID 155075699) is 2-piperidin-4-ylpropan-2-yl (E)-3-phenylprop-2-enoate.
What is the SMILES notation for 2-piperidin-4-ylpropan-2-yl (E)-3-phenylprop-2-enoate?
The canonical SMILES for 2-piperidin-4-ylpropan-2-yl (E)-3-phenylprop-2-enoate is CC(C)(OC(=O)/C=C/c1ccccc1)C1CCNCC1.
What is the InChIKey of 2-piperidin-4-ylpropan-2-yl (E)-3-phenylprop-2-enoate?
The InChIKey is KAURJPFTNBNZQY-CMDGGOBGSA-N. The full InChI is InChI=1S/C17H23NO2/c1-17(2,15-10-12-18-13-11-15)20-16(19)9-8-14-6-4-3-5-7-14/h3-9,15,18H,10-13H2,1-2H3/b9-8+.
What are the key properties of 2-piperidin-4-ylpropan-2-yl (E)-3-phenylprop-2-enoate?
2-piperidin-4-ylpropan-2-yl (E)-3-phenylprop-2-enoate has a molecular weight of 273.38 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-ylpropan-2-yl (E)-3-phenylprop-2-enoate is sourced from PubChem (CID 155075699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).