3-(4-hydroxyphenyl)-2-(piperidine-1-carbonyl)prop-2-enenitrile

C15H16N2O2 — CID 171130078

IUPAC3-(4-hydroxyphenyl)-2-(piperidine-1-carbonyl)prop-2-enenitrile
SMILESN#CC(=Cc1ccc(O)cc1)C(=O)N1CCCCC1
InChIInChI=1S/C15H16N2O2/c16-11-13(10-12-4-6-14(18)7-5-12)15(19)17-8-2-1-3-9-17/h4-7,10,18H,1-3,8-9H2
InChIKeyYWMVJGWLCXNKMK-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.31
Rot. Bonds2

About 3-(4-hydroxyphenyl)-2-(piperidine-1-carbonyl)prop-2-enenitrile

3-(4-hydroxyphenyl)-2-(piperidine-1-carbonyl)prop-2-enenitrile (PubChem CID 171130078) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 3-(4-hydroxyphenyl)-2-(piperidine-1-carbonyl)prop-2-enenitrile.

Molecular Properties

Compound Name3-(4-hydroxyphenyl)-2-(piperidine-1-carbonyl)prop-2-enenitrile
PubChem CID171130078
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name3-(4-hydroxyphenyl)-2-(piperidine-1-carbonyl)prop-2-enenitrile
SMILESN#CC(=Cc1ccc(O)cc1)C(=O)N1CCCCC1
InChIInChI=1S/C15H16N2O2/c16-11-13(10-12-4-6-14(18)7-5-12)15(19)17-8-2-1-3-9-17/h4-7,10,18H,1-3,8-9H2
InChIKeyYWMVJGWLCXNKMK-UHFFFAOYSA-N
XLogP2.31
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-phenyl-2-(piperidine-1-carbonyl)prop-2-enenitrile
CID 72978662
3-(4-methylphenyl)-2-(pyrrolidine-1-carbonyl)prop-2-enenitrile
CID 4666203
(E)-3-(3-bromo-4-hydroxyphenyl)-2-(piperidine-1-carbonyl)prop-2-enenitrile
CID 1492704
ethanol;(E)-3-(4-fluorophenyl)-2-(piperidine-1-carbonyl)prop-2-enenitrile
CID 21179251
N-[4-(2-cyano-3-oxo-3-pyrrolidin-1-ylprop-1-enyl)phenyl]acetamide
CID 3959749
3-(4-ethoxyphenyl)-2-(piperidine-1-carbonyl)prop-2-enenitrile
CID 4062293
2-[4-[(E)-2-cyano-3-oxo-3-piperidin-1-ylprop-1-enyl]phenoxy]acetamide
CID 6056242
3-(3,5-dichloro-4-hydroxyphenyl)-2-(piperidine-1-carbonyl)prop-2-enenitrile;hydrochloride
CID 74089696
2-[4-[(E)-2-cyano-3-oxo-3-pyrrolidin-1-ylprop-1-enyl]phenoxy]acetic acid
CID 27128701
6-[4-[(Z)-2-cyano-3-(4-hydroxyphenyl)prop-2-enoyl]piperazin-1-yl]hexanoic acid
CID 68637846
2-[4-[(E)-2-cyano-3-oxo-3-pyrrolidin-1-ylprop-1-enyl]phenoxy]acetamide
CID 126373493
(E)-3-(1H-indol-6-yl)-2-(pyrrolidine-1-carbonyl)prop-2-enenitrile
CID 71250195

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxyphenyl)-2-(piperidine-1-carbonyl)prop-2-enenitrile?
The IUPAC name of 3-(4-hydroxyphenyl)-2-(piperidine-1-carbonyl)prop-2-enenitrile (CID 171130078) is 3-(4-hydroxyphenyl)-2-(piperidine-1-carbonyl)prop-2-enenitrile.
What is the SMILES notation for 3-(4-hydroxyphenyl)-2-(piperidine-1-carbonyl)prop-2-enenitrile?
The canonical SMILES for 3-(4-hydroxyphenyl)-2-(piperidine-1-carbonyl)prop-2-enenitrile is N#CC(=Cc1ccc(O)cc1)C(=O)N1CCCCC1.
What is the InChIKey of 3-(4-hydroxyphenyl)-2-(piperidine-1-carbonyl)prop-2-enenitrile?
The InChIKey is YWMVJGWLCXNKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c16-11-13(10-12-4-6-14(18)7-5-12)15(19)17-8-2-1-3-9-17/h4-7,10,18H,1-3,8-9H2.
What are the key properties of 3-(4-hydroxyphenyl)-2-(piperidine-1-carbonyl)prop-2-enenitrile?
3-(4-hydroxyphenyl)-2-(piperidine-1-carbonyl)prop-2-enenitrile has a molecular weight of 256.31 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxyphenyl)-2-(piperidine-1-carbonyl)prop-2-enenitrile is sourced from PubChem (CID 171130078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).