4-[4-[(E)-2-(2-fluorocyclohexa-1,3-dien-1-yl)ethenyl]piperidin-1-yl]-N-methylbut-1-en-2-amine

C18H27FN2 — CID 142816354

IUPAC4-[4-[(E)-2-(2-fluorocyclohexa-1,3-dien-1-yl)ethenyl]piperidin-1-yl]-N-methylbut-1-en-2-amine
SMILESC=C(CCN1CCC(/C=C/C2=C(F)C=CCC2)CC1)NC
InChIInChI=1S/C18H27FN2/c1-15(20-2)9-12-21-13-10-16(11-14-21)7-8-17-5-3-4-6-18(17)19/h4,6-8,16,20H,1,3,5,9-14H2,2H3/b8-7+
InChIKeyXPUWTDURGMUBIV-BQYQJAHWSA-N
MW290.43 g/mol
LogP3.95
Rot. Bonds6

About 4-[4-[(E)-2-(2-fluorocyclohexa-1,3-dien-1-yl)ethenyl]piperidin-1-yl]-N-methylbut-1-en-2-amine

4-[4-[(E)-2-(2-fluorocyclohexa-1,3-dien-1-yl)ethenyl]piperidin-1-yl]-N-methylbut-1-en-2-amine (PubChem CID 142816354) has the molecular formula C18H27FN2 and a molecular weight of 290.43 g/mol. Its IUPAC name is 4-[4-[(E)-2-(2-fluorocyclohexa-1,3-dien-1-yl)ethenyl]piperidin-1-yl]-N-methylbut-1-en-2-amine.

Molecular Properties

Compound Name4-[4-[(E)-2-(2-fluorocyclohexa-1,3-dien-1-yl)ethenyl]piperidin-1-yl]-N-methylbut-1-en-2-amine
PubChem CID142816354
Molecular FormulaC18H27FN2
Molecular Weight290.43 g/mol
Exact Mass290.22
IUPAC Name4-[4-[(E)-2-(2-fluorocyclohexa-1,3-dien-1-yl)ethenyl]piperidin-1-yl]-N-methylbut-1-en-2-amine
SMILESC=C(CCN1CCC(/C=C/C2=C(F)C=CCC2)CC1)NC
InChIInChI=1S/C18H27FN2/c1-15(20-2)9-12-21-13-10-16(11-14-21)7-8-17-5-3-4-6-18(17)19/h4,6-8,16,20H,1,3,5,9-14H2,2H3/b8-7+
InChIKeyXPUWTDURGMUBIV-BQYQJAHWSA-N
XLogP3.95
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[4-[(E)-2-(2-fluorocyclohexa-1,3-dien-1-yl)ethenyl]piperidin-1-yl]-N-methylbut-1-en-2-amine 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

6-(5-fluorocyclohexa-1,5-dien-1-yl)-2-methyl-N-piperidin-4-yl-3,8a-dihydro-1H-isoquinolin-8-amine
CID 68244407
5-(Fluoromethyl)-6-piperidin-4-yl-1,2-dihydropyridine
CID 69107959
N-[(4-fluorocyclohexa-2,4-dien-1-yl)methyl]-1-methylpiperidin-4-amine
CID 70311004
N-[(4-fluorocyclohexa-1,5-dien-1-yl)methyl]-1-methylpiperidin-4-amine
CID 70325320
4-[(3E,5E)-6-fluorohepta-1,3,5-trien-3-yl]piperidin-4-amine
CID 88582935
N-[(5Z,6E)-3-(4-amino-3-fluorocyclohexa-2,4-dien-1-yl)-6-(aminomethylidene)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine
CID 89085321
N-[(5Z,6E)-3-[(1E,3E)-1-amino-4-fluorohexa-1,3,5-trien-2-yl]-6-(aminomethylidene)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine
CID 89085334
N-[(5Z,6E)-6-(aminomethylidene)-3-(4-fluoro-3-methyl-1,2-dihydropyridin-5-yl)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine
CID 89085336
N-[(5Z,6E)-6-(aminomethylidene)-3-[6-(fluoromethyl)-1,2,3,4-tetrahydropyridin-3-yl]-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine
CID 89085337
N-[(5Z,6E)-3-[(3E,5Z)-6-amino-7,7-difluorohepta-3,5-dien-3-yl]-6-(aminomethylidene)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine
CID 89085346
N-[(5Z,6E)-3-[(2Z,4E)-2-amino-1-fluorohepta-2,4-dien-4-yl]-6-(aminomethylidene)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine
CID 89085351
N-[(5Z,6E)-3-[(Z)-6-amino-7,7-difluorohept-5-en-3-yl]-6-(aminomethylidene)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine
CID 89085353

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(E)-2-(2-fluorocyclohexa-1,3-dien-1-yl)ethenyl]piperidin-1-yl]-N-methylbut-1-en-2-amine?
The IUPAC name of 4-[4-[(E)-2-(2-fluorocyclohexa-1,3-dien-1-yl)ethenyl]piperidin-1-yl]-N-methylbut-1-en-2-amine (CID 142816354) is 4-[4-[(E)-2-(2-fluorocyclohexa-1,3-dien-1-yl)ethenyl]piperidin-1-yl]-N-methylbut-1-en-2-amine.
What is the SMILES notation for 4-[4-[(E)-2-(2-fluorocyclohexa-1,3-dien-1-yl)ethenyl]piperidin-1-yl]-N-methylbut-1-en-2-amine?
The canonical SMILES for 4-[4-[(E)-2-(2-fluorocyclohexa-1,3-dien-1-yl)ethenyl]piperidin-1-yl]-N-methylbut-1-en-2-amine is C=C(CCN1CCC(/C=C/C2=C(F)C=CCC2)CC1)NC.
What is the InChIKey of 4-[4-[(E)-2-(2-fluorocyclohexa-1,3-dien-1-yl)ethenyl]piperidin-1-yl]-N-methylbut-1-en-2-amine?
The InChIKey is XPUWTDURGMUBIV-BQYQJAHWSA-N. The full InChI is InChI=1S/C18H27FN2/c1-15(20-2)9-12-21-13-10-16(11-14-21)7-8-17-5-3-4-6-18(17)19/h4,6-8,16,20H,1,3,5,9-14H2,2H3/b8-7+.
What are the key properties of 4-[4-[(E)-2-(2-fluorocyclohexa-1,3-dien-1-yl)ethenyl]piperidin-1-yl]-N-methylbut-1-en-2-amine?
4-[4-[(E)-2-(2-fluorocyclohexa-1,3-dien-1-yl)ethenyl]piperidin-1-yl]-N-methylbut-1-en-2-amine has a molecular weight of 290.43 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(E)-2-(2-fluorocyclohexa-1,3-dien-1-yl)ethenyl]piperidin-1-yl]-N-methylbut-1-en-2-amine is sourced from PubChem (CID 142816354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).