piperidin-1-yl (E)-3-phenylprop-2-enoate

C14H17NO2 — CID 135365277

IUPACpiperidin-1-yl (E)-3-phenylprop-2-enoate
SMILESO=C(/C=C/c1ccccc1)ON1CCCCC1
InChIInChI=1S/C14H17NO2/c16-14(17-15-11-5-2-6-12-15)10-9-13-7-3-1-4-8-13/h1,3-4,7-10H,2,5-6,11-12H2/b10-9+
InChIKeyXXASZTXSXHRKBH-MDZDMXLPSA-N
MW231.30 g/mol
LogP2.64
Rot. Bonds3

About piperidin-1-yl (E)-3-phenylprop-2-enoate

piperidin-1-yl (E)-3-phenylprop-2-enoate (PubChem CID 135365277) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is piperidin-1-yl (E)-3-phenylprop-2-enoate.

Molecular Properties

Compound Namepiperidin-1-yl (E)-3-phenylprop-2-enoate
PubChem CID135365277
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Namepiperidin-1-yl (E)-3-phenylprop-2-enoate
SMILESO=C(/C=C/c1ccccc1)ON1CCCCC1
InChIInChI=1S/C14H17NO2/c16-14(17-15-11-5-2-6-12-15)10-9-13-7-3-1-4-8-13/h1,3-4,7-10H,2,5-6,11-12H2/b10-9+
InChIKeyXXASZTXSXHRKBH-MDZDMXLPSA-N
XLogP2.64
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-methylpiperazin-1-yl) 3-phenylprop-2-enoate
CID 67915043
dipyrrolidin-1-yl (E)-but-2-enedioate
CID 68896347
4-oxo-4-piperidin-1-yloxybut-2-enoic acid
CID 54120828
4-phenyl-1-piperidin-1-ylbut-3-ene-1,2-dione
CID 57235481
5-phenyl-1-piperidin-1-ylpenta-2,4-dien-1-one
CID 2798165
4-phenyl-1-pyrrolidin-1-ylbut-3-ene-1,2-dione
CID 57310756
amino 3-phenylprop-2-enoate
CID 67189797
lanthanum;(E)-3-phenylprop-2-eneperoxoic acid
CID 122589716
1-[(E)-2-phenylethenyl]azepane
CID 146169339
4-benzyl-1-[3-(4-fluorophenyl)prop-2-enoyloxy]piperidine-4-carboxylic acid
CID 90851802
[3,5-bis[[(E)-3-phenylprop-2-enoyl]oxy]phenyl] (E)-3-phenylprop-2-enoate
CID 59860900
2-phenylethenyl 3-phenylprop-2-enoate
CID 56982570

Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl (E)-3-phenylprop-2-enoate?
The IUPAC name of piperidin-1-yl (E)-3-phenylprop-2-enoate (CID 135365277) is piperidin-1-yl (E)-3-phenylprop-2-enoate.
What is the SMILES notation for piperidin-1-yl (E)-3-phenylprop-2-enoate?
The canonical SMILES for piperidin-1-yl (E)-3-phenylprop-2-enoate is O=C(/C=C/c1ccccc1)ON1CCCCC1.
What is the InChIKey of piperidin-1-yl (E)-3-phenylprop-2-enoate?
The InChIKey is XXASZTXSXHRKBH-MDZDMXLPSA-N. The full InChI is InChI=1S/C14H17NO2/c16-14(17-15-11-5-2-6-12-15)10-9-13-7-3-1-4-8-13/h1,3-4,7-10H,2,5-6,11-12H2/b10-9+.
What are the key properties of piperidin-1-yl (E)-3-phenylprop-2-enoate?
piperidin-1-yl (E)-3-phenylprop-2-enoate has a molecular weight of 231.30 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl (E)-3-phenylprop-2-enoate is sourced from PubChem (CID 135365277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).