1-(4-fluorophenyl)-6-methyl-N-(3-piperidin-1-ylpropoxy)hepta-1,3-dien-3-amine

C22H33FN2O — CID 57265218

IUPAC1-(4-fluorophenyl)-6-methyl-N-(3-piperidin-1-ylpropoxy)hepta-1,3-dien-3-amine
SMILESCC(C)CC=C(C=Cc1ccc(F)cc1)NOCCCN1CCCCC1
InChIInChI=1S/C22H33FN2O/c1-19(2)7-13-22(14-10-20-8-11-21(23)12-9-20)24-26-18-6-17-25-15-4-3-5-16-25/h8-14,19,24H,3-7,15-18H2,1-2H3
InChIKeyFRWSAPZZEIHTSM-UHFFFAOYSA-N
MW360.52 g/mol
LogP5.17
Rot. Bonds10

About 1-(4-fluorophenyl)-6-methyl-N-(3-piperidin-1-ylpropoxy)hepta-1,3-dien-3-amine

1-(4-fluorophenyl)-6-methyl-N-(3-piperidin-1-ylpropoxy)hepta-1,3-dien-3-amine (PubChem CID 57265218) has the molecular formula C22H33FN2O and a molecular weight of 360.52 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-6-methyl-N-(3-piperidin-1-ylpropoxy)hepta-1,3-dien-3-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-6-methyl-N-(3-piperidin-1-ylpropoxy)hepta-1,3-dien-3-amine
PubChem CID57265218
Molecular FormulaC22H33FN2O
Molecular Weight360.52 g/mol
Exact Mass360.26
IUPAC Name1-(4-fluorophenyl)-6-methyl-N-(3-piperidin-1-ylpropoxy)hepta-1,3-dien-3-amine
SMILESCC(C)CC=C(C=Cc1ccc(F)cc1)NOCCCN1CCCCC1
InChIInChI=1S/C22H33FN2O/c1-19(2)7-13-22(14-10-20-8-11-21(23)12-9-20)24-26-18-6-17-25-15-4-3-5-16-25/h8-14,19,24H,3-7,15-18H2,1-2H3
InChIKeyFRWSAPZZEIHTSM-UHFFFAOYSA-N
XLogP5.17
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.52
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 1-(4-fluorophenyl)-6-methyl-N-(3-piperidin-1-ylpropoxy)hepta-1,3-dien-3-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-benzylidene-N-butoxy-N-octylcyclohexa-1,3-dien-1-amine
CID 54156813
(E,E)-1-(4-fluorophenyl)-6-methyl-N-(3-piperidin-1-ylpropoxy)hept-1-en-3-imine
CID 18993327
N-[2-(dimethylamino)ethoxy]-6-[(4-fluorophenyl)methylidene]-2-heptylcyclohexen-1-amine
CID 56975572
N-[(2R)-3-(dimethylamino)-2-methylpropoxy]-6-[(4-fluorophenyl)methylidene]-2-methylcyclohexen-1-amine
CID 57142195
6-[(4-fluorophenyl)methylidene]-2-methyl-N-(2-morpholin-4-ylethoxy)cyclohexen-1-amine
CID 57246196
(2R)-1-(4-fluorophenyl)-3-(4-methoxypiperidin-1-yl)but-3-en-2-amine
CID 89160653
(3E,5E,7Z)-2-[4-(4-fluorophenyl)piperidin-1-yl]-6-methylnona-1,3,5,7-tetraen-5-amine
CID 89265593
1-[(1R,3R)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-ylidene]-N-methoxypropan-1-amine
CID 90963561
1-[(1S,3S)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-ylidene]-N-methoxypropan-1-amine
CID 91037773
1-(4-fluorophenyl)-N-methoxy-3-(3-phenylpiperidin-1-yl)prop-1-en-1-amine
CID 91262927
1-[(1R,3S)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-ylidene]-N-methoxypropan-1-amine
CID 91304602
1-[3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-ylidene]-N-methoxypropan-1-amine
CID 91377423

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-6-methyl-N-(3-piperidin-1-ylpropoxy)hepta-1,3-dien-3-amine?
The IUPAC name of 1-(4-fluorophenyl)-6-methyl-N-(3-piperidin-1-ylpropoxy)hepta-1,3-dien-3-amine (CID 57265218) is 1-(4-fluorophenyl)-6-methyl-N-(3-piperidin-1-ylpropoxy)hepta-1,3-dien-3-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-6-methyl-N-(3-piperidin-1-ylpropoxy)hepta-1,3-dien-3-amine?
The canonical SMILES for 1-(4-fluorophenyl)-6-methyl-N-(3-piperidin-1-ylpropoxy)hepta-1,3-dien-3-amine is CC(C)CC=C(C=Cc1ccc(F)cc1)NOCCCN1CCCCC1.
What is the InChIKey of 1-(4-fluorophenyl)-6-methyl-N-(3-piperidin-1-ylpropoxy)hepta-1,3-dien-3-amine?
The InChIKey is FRWSAPZZEIHTSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33FN2O/c1-19(2)7-13-22(14-10-20-8-11-21(23)12-9-20)24-26-18-6-17-25-15-4-3-5-16-25/h8-14,19,24H,3-7,15-18H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-6-methyl-N-(3-piperidin-1-ylpropoxy)hepta-1,3-dien-3-amine?
1-(4-fluorophenyl)-6-methyl-N-(3-piperidin-1-ylpropoxy)hepta-1,3-dien-3-amine has a molecular weight of 360.52 g/mol, XLogP of 5.17, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-6-methyl-N-(3-piperidin-1-ylpropoxy)hepta-1,3-dien-3-amine is sourced from PubChem (CID 57265218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).