(1-formylpiperidin-4-yl) (E)-3-phenylprop-2-enoate

C15H17NO3 — CID 75443536

IUPAC(1-formylpiperidin-4-yl) (E)-3-phenylprop-2-enoate
SMILESO=CN1CCC(OC(=O)/C=C/c2ccccc2)CC1
InChIInChI=1S/C15H17NO3/c17-12-16-10-8-14(9-11-16)19-15(18)7-6-13-4-2-1-3-5-13/h1-7,12,14H,8-11H2/b7-6+
InChIKeyQDHOUXGDQRNOBW-VOTSOKGWSA-N
MW259.31 g/mol
LogP1.86
Rot. Bonds4

About (1-formylpiperidin-4-yl) (E)-3-phenylprop-2-enoate

(1-formylpiperidin-4-yl) (E)-3-phenylprop-2-enoate (PubChem CID 75443536) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is (1-formylpiperidin-4-yl) (E)-3-phenylprop-2-enoate.

Molecular Properties

Compound Name(1-formylpiperidin-4-yl) (E)-3-phenylprop-2-enoate
PubChem CID75443536
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name(1-formylpiperidin-4-yl) (E)-3-phenylprop-2-enoate
SMILESO=CN1CCC(OC(=O)/C=C/c2ccccc2)CC1
InChIInChI=1S/C15H17NO3/c17-12-16-10-8-14(9-11-16)19-15(18)7-6-13-4-2-1-3-5-13/h1-7,12,14H,8-11H2/b7-6+
InChIKeyQDHOUXGDQRNOBW-VOTSOKGWSA-N
XLogP1.86
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-tert-butylcyclohexyl) 3-phenylprop-2-enoate
CID 154628422
oxolan-3-yl 3-phenylprop-2-enoate
CID 162506502
(1-methylpiperidin-4-yl) (E)-3-(3-aminophenyl)prop-2-enoate
CID 115340467
1-azabicyclo[2.2.2]octan-3-yl (E)-3-phenylprop-2-enoate chloride
CID 53351465
4-(3-phenylprop-2-enoyl)piperazine-1-carbaldehyde
CID 85433979
lanthanum;(E)-3-phenylprop-2-eneperoxoic acid
CID 122589716
(4-methylpiperazin-1-yl) 3-phenylprop-2-enoate
CID 67915043
(3-methyl-5-propan-2-ylcyclohexyl) (E)-3-phenylprop-2-enoate
CID 56687711
piperidin-1-yl (E)-3-phenylprop-2-enoate
CID 135365277
[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] (E)-3-phenylprop-2-enoate
CID 7053810
(1-formylpiperidin-4-yl) 2,3-dichlorobenzoate
CID 75499585
[4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxycyclohexyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
CID 89402377

Frequently Asked Questions

What is the IUPAC name of (1-formylpiperidin-4-yl) (E)-3-phenylprop-2-enoate?
The IUPAC name of (1-formylpiperidin-4-yl) (E)-3-phenylprop-2-enoate (CID 75443536) is (1-formylpiperidin-4-yl) (E)-3-phenylprop-2-enoate.
What is the SMILES notation for (1-formylpiperidin-4-yl) (E)-3-phenylprop-2-enoate?
The canonical SMILES for (1-formylpiperidin-4-yl) (E)-3-phenylprop-2-enoate is O=CN1CCC(OC(=O)/C=C/c2ccccc2)CC1.
What is the InChIKey of (1-formylpiperidin-4-yl) (E)-3-phenylprop-2-enoate?
The InChIKey is QDHOUXGDQRNOBW-VOTSOKGWSA-N. The full InChI is InChI=1S/C15H17NO3/c17-12-16-10-8-14(9-11-16)19-15(18)7-6-13-4-2-1-3-5-13/h1-7,12,14H,8-11H2/b7-6+.
What are the key properties of (1-formylpiperidin-4-yl) (E)-3-phenylprop-2-enoate?
(1-formylpiperidin-4-yl) (E)-3-phenylprop-2-enoate has a molecular weight of 259.31 g/mol, XLogP of 1.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-formylpiperidin-4-yl) (E)-3-phenylprop-2-enoate is sourced from PubChem (CID 75443536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).