1-ethyl-4-(4-fluorocyclohexa-2,4-dien-1-yl)piperidine-4-carbonitrile

C14H19FN2 — CID 123408904

IUPAC1-ethyl-4-(4-fluorocyclohexa-2,4-dien-1-yl)piperidine-4-carbonitrile
SMILESCCN1CCC(C#N)(C2C=CC(F)=CC2)CC1
InChIInChI=1S/C14H19FN2/c1-2-17-9-7-14(11-16,8-10-17)12-3-5-13(15)6-4-12/h3,5-6,12H,2,4,7-10H2,1H3
InChIKeyPUWAXCHHOPLNBS-UHFFFAOYSA-N
MW234.32 g/mol
LogP3.04
Rot. Bonds2

About 1-ethyl-4-(4-fluorocyclohexa-2,4-dien-1-yl)piperidine-4-carbonitrile

1-ethyl-4-(4-fluorocyclohexa-2,4-dien-1-yl)piperidine-4-carbonitrile (PubChem CID 123408904) has the molecular formula C14H19FN2 and a molecular weight of 234.32 g/mol. Its IUPAC name is 1-ethyl-4-(4-fluorocyclohexa-2,4-dien-1-yl)piperidine-4-carbonitrile.

Molecular Properties

Compound Name1-ethyl-4-(4-fluorocyclohexa-2,4-dien-1-yl)piperidine-4-carbonitrile
PubChem CID123408904
Molecular FormulaC14H19FN2
Molecular Weight234.32 g/mol
Exact Mass234.15
IUPAC Name1-ethyl-4-(4-fluorocyclohexa-2,4-dien-1-yl)piperidine-4-carbonitrile
SMILESCCN1CCC(C#N)(C2C=CC(F)=CC2)CC1
InChIInChI=1S/C14H19FN2/c1-2-17-9-7-14(11-16,8-10-17)12-3-5-13(15)6-4-12/h3,5-6,12H,2,4,7-10H2,1H3
InChIKeyPUWAXCHHOPLNBS-UHFFFAOYSA-N
XLogP3.04
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-ethyl-4-(4-fluorocyclohexa-2,4-dien-1-yl)piperidine-4-carbonitrile 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

4-[(3Z,5E)-5-fluorohepta-3,5-dienyl]piperidine-4-carbonitrile
CID 89060679
1-Ethyl-4-[6-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperidine-4-carbonitrile
CID 123640229
1-ethyl-4-[(3E,5Z)-7-fluorohepta-1,3,5-trien-4-yl]piperidine-4-carbonitrile
CID 124143144
4-[1-(4-Fluoro-1-methylcyclohexa-2,4-dien-1-yl)ethenyl]-1-methylpiperidine
CID 129131717
(5E,7Z)-8-[(Z)-1,2-difluoroethenyl]-2-(2,4-dimethylpenta-1,4-dien-3-ylidene)-11-piperidin-1-yl-3-propan-2-ylundeca-5,7-dienenitrile
CID 130243083
4-(4-Fluorocyclohexa-2,4-dien-1-yl)-1-methylpiperidine
CID 134365605
4-[(2Z,6Z)-4-fluoroocta-2,4,6-trien-3-yl]-1-methylpiperidine-4-carbonitrile
CID 143617052
4-[(4-Fluorocyclohexa-2,4-dien-1-yl)methyl]piperidine-4-carbonitrile
CID 144013220
2-Ethyl-4-(ethylamino)-2-(4-fluorocyclohexa-2,4-dien-1-yl)butanenitrile
CID 144192102
1-Ethyl-4-[(1-fluorocyclohexa-2,4-dien-1-yl)methyl]piperidine-4-carbonitrile
CID 144192208
1-ethyl-4-[(3Z)-4-(trifluoromethyl)hexa-1,3,5-trien-3-yl]piperidine-4-carbonitrile
CID 144192221
2-[1-[(3Z)-5-fluoro-2-methylidenehexa-3,5-dienyl]-4-methylpiperidin-4-yl]acetonitrile
CID 145394517

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(4-fluorocyclohexa-2,4-dien-1-yl)piperidine-4-carbonitrile?
The IUPAC name of 1-ethyl-4-(4-fluorocyclohexa-2,4-dien-1-yl)piperidine-4-carbonitrile (CID 123408904) is 1-ethyl-4-(4-fluorocyclohexa-2,4-dien-1-yl)piperidine-4-carbonitrile.
What is the SMILES notation for 1-ethyl-4-(4-fluorocyclohexa-2,4-dien-1-yl)piperidine-4-carbonitrile?
The canonical SMILES for 1-ethyl-4-(4-fluorocyclohexa-2,4-dien-1-yl)piperidine-4-carbonitrile is CCN1CCC(C#N)(C2C=CC(F)=CC2)CC1.
What is the InChIKey of 1-ethyl-4-(4-fluorocyclohexa-2,4-dien-1-yl)piperidine-4-carbonitrile?
The InChIKey is PUWAXCHHOPLNBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2/c1-2-17-9-7-14(11-16,8-10-17)12-3-5-13(15)6-4-12/h3,5-6,12H,2,4,7-10H2,1H3.
What are the key properties of 1-ethyl-4-(4-fluorocyclohexa-2,4-dien-1-yl)piperidine-4-carbonitrile?
1-ethyl-4-(4-fluorocyclohexa-2,4-dien-1-yl)piperidine-4-carbonitrile has a molecular weight of 234.32 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(4-fluorocyclohexa-2,4-dien-1-yl)piperidine-4-carbonitrile is sourced from PubChem (CID 123408904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).