[(E)-3-(4-piperidin-1-ylphenyl)prop-2-enyl] formate

C15H19NO2 — CID 174381521

IUPAC[(E)-3-(4-piperidin-1-ylphenyl)prop-2-enyl] formate
SMILESO=COC/C=C/c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C15H19NO2/c17-13-18-12-4-5-14-6-8-15(9-7-14)16-10-2-1-3-11-16/h4-9,13H,1-3,10-12H2/b5-4+
InChIKeyIVPFZHBQVHEQTB-SNAWJCMRSA-N
MW245.32 g/mol
LogP2.86
Rot. Bonds5

About [(E)-3-(4-piperidin-1-ylphenyl)prop-2-enyl] formate

[(E)-3-(4-piperidin-1-ylphenyl)prop-2-enyl] formate (PubChem CID 174381521) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is [(E)-3-(4-piperidin-1-ylphenyl)prop-2-enyl] formate.

Molecular Properties

Compound Name[(E)-3-(4-piperidin-1-ylphenyl)prop-2-enyl] formate
PubChem CID174381521
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name[(E)-3-(4-piperidin-1-ylphenyl)prop-2-enyl] formate
SMILESO=COC/C=C/c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C15H19NO2/c17-13-18-12-4-5-14-6-8-15(9-7-14)16-10-2-1-3-11-16/h4-9,13H,1-3,10-12H2/b5-4+
InChIKeyIVPFZHBQVHEQTB-SNAWJCMRSA-N
XLogP2.86
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[(E)-3-[4-(4-oxopiperidin-1-yl)phenyl]prop-2-enyl] formate
CID 22973674
1-[4-[2-(4-piperidin-1-ylphenyl)ethenyl]phenyl]piperidine
CID 56975979
3-(4-piperidin-1-ylphenyl)prop-2-en-1-ol
CID 169454389
methyl (E)-4-[4-(azepan-1-yl)phenyl]but-3-enoate
CID 66634662
ethyl formate;1-phenylpiperidine
CID 174893706
3-(4-piperidin-1-ylphenyl)prop-2-enenitrile
CID 169484506
1,16-diazatricyclo[14.14.4.231,34]hexatriaconta-31,33,35-triene
CID 177496449
ethyl 3-[4-(azepan-1-yl)phenyl]prop-2-enoate
CID 66815552
1-(4-but-1-enylphenyl)aziridine
CID 154114150
(E)-3-(4-pyrrolidin-1-ylphenyl)prop-2-enoic acid
CID 18363088
4-(4-pyrrolidin-1-ylphenoxy)benzaldehyde
CID 82275259
2-hydroxy-3-methyl-5-[(E)-2-(4-piperidin-1-ylphenyl)ethenyl]benzaldehyde
CID 159685527

Frequently Asked Questions

What is the IUPAC name of [(E)-3-(4-piperidin-1-ylphenyl)prop-2-enyl] formate?
The IUPAC name of [(E)-3-(4-piperidin-1-ylphenyl)prop-2-enyl] formate (CID 174381521) is [(E)-3-(4-piperidin-1-ylphenyl)prop-2-enyl] formate.
What is the SMILES notation for [(E)-3-(4-piperidin-1-ylphenyl)prop-2-enyl] formate?
The canonical SMILES for [(E)-3-(4-piperidin-1-ylphenyl)prop-2-enyl] formate is O=COC/C=C/c1ccc(N2CCCCC2)cc1.
What is the InChIKey of [(E)-3-(4-piperidin-1-ylphenyl)prop-2-enyl] formate?
The InChIKey is IVPFZHBQVHEQTB-SNAWJCMRSA-N. The full InChI is InChI=1S/C15H19NO2/c17-13-18-12-4-5-14-6-8-15(9-7-14)16-10-2-1-3-11-16/h4-9,13H,1-3,10-12H2/b5-4+.
What are the key properties of [(E)-3-(4-piperidin-1-ylphenyl)prop-2-enyl] formate?
[(E)-3-(4-piperidin-1-ylphenyl)prop-2-enyl] formate has a molecular weight of 245.32 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-(4-piperidin-1-ylphenyl)prop-2-enyl] formate is sourced from PubChem (CID 174381521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).