(2Z,4Z)-3-(4-fluoropiperidin-1-yl)hepta-2,4,6-trien-2-amine

C12H19FN2 — CID 156739146

IUPAC(2Z,4Z)-3-(4-fluoropiperidin-1-yl)hepta-2,4,6-trien-2-amine
SMILESC=C/C=C\C(=C(/C)N)N1CCC(F)CC1
InChIInChI=1S/C12H19FN2/c1-3-4-5-12(10(2)14)15-8-6-11(13)7-9-15/h3-5,11H,1,6-9,14H2,2H3/b5-4-,12-10-
InChIKeyKNWCZVYCHXGFCA-VDBJJUDGSA-N
MW210.30 g/mol
LogP2.35
Rot. Bonds3

About (2Z,4Z)-3-(4-fluoropiperidin-1-yl)hepta-2,4,6-trien-2-amine

(2Z,4Z)-3-(4-fluoropiperidin-1-yl)hepta-2,4,6-trien-2-amine (PubChem CID 156739146) has the molecular formula C12H19FN2 and a molecular weight of 210.30 g/mol. Its IUPAC name is (2Z,4Z)-3-(4-fluoropiperidin-1-yl)hepta-2,4,6-trien-2-amine.

Molecular Properties

Compound Name(2Z,4Z)-3-(4-fluoropiperidin-1-yl)hepta-2,4,6-trien-2-amine
PubChem CID156739146
Molecular FormulaC12H19FN2
Molecular Weight210.30 g/mol
Exact Mass210.15
IUPAC Name(2Z,4Z)-3-(4-fluoropiperidin-1-yl)hepta-2,4,6-trien-2-amine
SMILESC=C/C=C\C(=C(/C)N)N1CCC(F)CC1
InChIInChI=1S/C12H19FN2/c1-3-4-5-12(10(2)14)15-8-6-11(13)7-9-15/h3-5,11H,1,6-9,14H2,2H3/b5-4-,12-10-
InChIKeyKNWCZVYCHXGFCA-VDBJJUDGSA-N
XLogP2.35
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2Z,4Z)-3-(4-fluoropiperidin-1-yl)hepta-2,4,6-trien-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

1-[(3R)-3-fluoro-1-methylpiperidin-4-yl]-2H-pyridin-3-amine
CID 137449696
1-[1-(2-fluoroethyl)piperidin-3-yl]-2H-pyridin-3-amine
CID 139373459
1-[(3S)-3-fluoro-1-methylpiperidin-4-yl]-2H-pyridin-3-amine
CID 139383769
(3E)-4-fluoro-5-piperidin-1-ylhexa-1,3,5-trien-2-amine
CID 143599145
(1Z,3E)-3-fluoro-2-piperidin-1-ylhexa-1,3,5-trien-1-amine
CID 144287729
(1E,3Z)-1-(3-fluoropiperidin-1-yl)penta-1,3-diene-1,4-diamine
CID 145197707
N-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]piperidin-4-amine
CID 145284766
(2Z,4Z)-2-(4,4-difluoropiperidin-1-yl)hepta-2,4,6-trien-3-amine
CID 156371502
(1Z,3Z)-2-fluoro-N'-methyl-N-piperidin-4-ylpenta-1,3-diene-1,5-diamine
CID 156450873
(3Z,5Z)-3-(4,4-difluoropiperidin-1-yl)hepta-1,3,5-trien-4-amine
CID 163241437
4-(4-Fluoropiperidin-1-yl)but-2-en-1-amine
CID 164659486
1-[(3E)-penta-1,3-dien-3-yl]piperidine
CID 22149549

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-3-(4-fluoropiperidin-1-yl)hepta-2,4,6-trien-2-amine?
The IUPAC name of (2Z,4Z)-3-(4-fluoropiperidin-1-yl)hepta-2,4,6-trien-2-amine (CID 156739146) is (2Z,4Z)-3-(4-fluoropiperidin-1-yl)hepta-2,4,6-trien-2-amine.
What is the SMILES notation for (2Z,4Z)-3-(4-fluoropiperidin-1-yl)hepta-2,4,6-trien-2-amine?
The canonical SMILES for (2Z,4Z)-3-(4-fluoropiperidin-1-yl)hepta-2,4,6-trien-2-amine is C=C/C=C\C(=C(/C)N)N1CCC(F)CC1.
What is the InChIKey of (2Z,4Z)-3-(4-fluoropiperidin-1-yl)hepta-2,4,6-trien-2-amine?
The InChIKey is KNWCZVYCHXGFCA-VDBJJUDGSA-N. The full InChI is InChI=1S/C12H19FN2/c1-3-4-5-12(10(2)14)15-8-6-11(13)7-9-15/h3-5,11H,1,6-9,14H2,2H3/b5-4-,12-10-.
What are the key properties of (2Z,4Z)-3-(4-fluoropiperidin-1-yl)hepta-2,4,6-trien-2-amine?
(2Z,4Z)-3-(4-fluoropiperidin-1-yl)hepta-2,4,6-trien-2-amine has a molecular weight of 210.30 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-3-(4-fluoropiperidin-1-yl)hepta-2,4,6-trien-2-amine is sourced from PubChem (CID 156739146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).