3-(4-piperidin-1-ylphenyl)prop-2-enenitrile

C14H16N2 — CID 169484506

IUPAC3-(4-piperidin-1-ylphenyl)prop-2-enenitrile
SMILESN#CC=Cc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C14H16N2/c15-10-4-5-13-6-8-14(9-7-13)16-11-2-1-3-12-16/h4-9H,1-3,11-12H2
InChIKeyGMWIRNMTLJXUTR-UHFFFAOYSA-N
MW212.30 g/mol
LogP3.21
Rot. Bonds2

About 3-(4-piperidin-1-ylphenyl)prop-2-enenitrile

3-(4-piperidin-1-ylphenyl)prop-2-enenitrile (PubChem CID 169484506) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is 3-(4-piperidin-1-ylphenyl)prop-2-enenitrile.

Molecular Properties

Compound Name3-(4-piperidin-1-ylphenyl)prop-2-enenitrile
PubChem CID169484506
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC Name3-(4-piperidin-1-ylphenyl)prop-2-enenitrile
SMILESN#CC=Cc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C14H16N2/c15-10-4-5-13-6-8-14(9-7-13)16-11-2-1-3-12-16/h4-9H,1-3,11-12H2
InChIKeyGMWIRNMTLJXUTR-UHFFFAOYSA-N
XLogP3.21
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(4-piperidin-1-ylphenyl)prop-2-enenitrile 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

1-[4-[2-(4-piperidin-1-ylphenyl)ethenyl]phenyl]piperidine
CID 56975979
1,16-diazatricyclo[14.14.4.231,34]hexatriaconta-31,33,35-triene
CID 177496449
(E)-3-[4-(4-nonylpiperazin-1-yl)phenyl]prop-2-enenitrile
CID 101246264
3-(4-piperidin-1-ylphenyl)prop-2-en-1-ol
CID 169454389
(E)-2-cyano-3-(4-pyrrolidin-1-ylphenyl)prop-2-enoic acid
CID 71667419
[(E)-3-(4-piperidin-1-ylphenyl)prop-2-enyl] formate
CID 174381521
(E)-3-(4-pyrrolidin-1-ylphenyl)prop-2-enoic acid
CID 18363088
1-methyl-4-[2-(4-pyrrolidin-1-ylphenyl)ethenyl]pyridin-1-ium iodide
CID 71447202
1-methyl-4-[(E)-2-(4-pyrrolidin-1-ylphenyl)ethenyl]pyridin-1-ium iodide
CID 91995316
ethyl 3-[4-(azepan-1-yl)phenyl]prop-2-enoate
CID 66815552
3-(4-iodophenyl)prop-2-enenitrile
CID 67242782
1-[4-[(E)-2-[2,4,6-trinitro-3,5-bis[(E)-2-(4-piperidin-1-ylphenyl)ethenyl]phenyl]ethenyl]phenyl]piperidine
CID 101104723

Frequently Asked Questions

What is the IUPAC name of 3-(4-piperidin-1-ylphenyl)prop-2-enenitrile?
The IUPAC name of 3-(4-piperidin-1-ylphenyl)prop-2-enenitrile (CID 169484506) is 3-(4-piperidin-1-ylphenyl)prop-2-enenitrile.
What is the SMILES notation for 3-(4-piperidin-1-ylphenyl)prop-2-enenitrile?
The canonical SMILES for 3-(4-piperidin-1-ylphenyl)prop-2-enenitrile is N#CC=Cc1ccc(N2CCCCC2)cc1.
What is the InChIKey of 3-(4-piperidin-1-ylphenyl)prop-2-enenitrile?
The InChIKey is GMWIRNMTLJXUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2/c15-10-4-5-13-6-8-14(9-7-13)16-11-2-1-3-12-16/h4-9H,1-3,11-12H2.
What are the key properties of 3-(4-piperidin-1-ylphenyl)prop-2-enenitrile?
3-(4-piperidin-1-ylphenyl)prop-2-enenitrile has a molecular weight of 212.30 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-piperidin-1-ylphenyl)prop-2-enenitrile is sourced from PubChem (CID 169484506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).