(3Z,5Z)-4-ethenyl-5-(4-fluoro-4-methylpiperidin-1-yl)octa-1,3,5-trien-3-amine

C16H25FN2 — CID 156796461

IUPAC(3Z,5Z)-4-ethenyl-5-(4-fluoro-4-methylpiperidin-1-yl)octa-1,3,5-trien-3-amine
SMILESC=C/C(N)=C(C=C)/C(=C/CC)N1CCC(C)(F)CC1
InChIInChI=1S/C16H25FN2/c1-5-8-15(13(6-2)14(18)7-3)19-11-9-16(4,17)10-12-19/h6-8H,2-3,5,9-12,18H2,1,4H3/b14-13-,15-8-
InChIKeyTWNHJOARNZIFTQ-BAEHMUKLSA-N
MW264.39 g/mol
LogP3.69
Rot. Bonds5

About (3Z,5Z)-4-ethenyl-5-(4-fluoro-4-methylpiperidin-1-yl)octa-1,3,5-trien-3-amine

(3Z,5Z)-4-ethenyl-5-(4-fluoro-4-methylpiperidin-1-yl)octa-1,3,5-trien-3-amine (PubChem CID 156796461) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is (3Z,5Z)-4-ethenyl-5-(4-fluoro-4-methylpiperidin-1-yl)octa-1,3,5-trien-3-amine.

Molecular Properties

Compound Name(3Z,5Z)-4-ethenyl-5-(4-fluoro-4-methylpiperidin-1-yl)octa-1,3,5-trien-3-amine
PubChem CID156796461
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC Name(3Z,5Z)-4-ethenyl-5-(4-fluoro-4-methylpiperidin-1-yl)octa-1,3,5-trien-3-amine
SMILESC=C/C(N)=C(C=C)/C(=C/CC)N1CCC(C)(F)CC1
InChIInChI=1S/C16H25FN2/c1-5-8-15(13(6-2)14(18)7-3)19-11-9-16(4,17)10-12-19/h6-8H,2-3,5,9-12,18H2,1,4H3/b14-13-,15-8-
InChIKeyTWNHJOARNZIFTQ-BAEHMUKLSA-N
XLogP3.69
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3Z,5Z)-4-ethenyl-5-(4-fluoro-4-methylpiperidin-1-yl)octa-1,3,5-trien-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

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-4-ethenyl-5-(4-fluoro-4-methylpiperidin-1-yl)octa-1,3,5-trien-3-amine?
The IUPAC name of (3Z,5Z)-4-ethenyl-5-(4-fluoro-4-methylpiperidin-1-yl)octa-1,3,5-trien-3-amine (CID 156796461) is (3Z,5Z)-4-ethenyl-5-(4-fluoro-4-methylpiperidin-1-yl)octa-1,3,5-trien-3-amine.
What is the SMILES notation for (3Z,5Z)-4-ethenyl-5-(4-fluoro-4-methylpiperidin-1-yl)octa-1,3,5-trien-3-amine?
The canonical SMILES for (3Z,5Z)-4-ethenyl-5-(4-fluoro-4-methylpiperidin-1-yl)octa-1,3,5-trien-3-amine is C=C/C(N)=C(C=C)/C(=C/CC)N1CCC(C)(F)CC1.
What is the InChIKey of (3Z,5Z)-4-ethenyl-5-(4-fluoro-4-methylpiperidin-1-yl)octa-1,3,5-trien-3-amine?
The InChIKey is TWNHJOARNZIFTQ-BAEHMUKLSA-N. The full InChI is InChI=1S/C16H25FN2/c1-5-8-15(13(6-2)14(18)7-3)19-11-9-16(4,17)10-12-19/h6-8H,2-3,5,9-12,18H2,1,4H3/b14-13-,15-8-.
What are the key properties of (3Z,5Z)-4-ethenyl-5-(4-fluoro-4-methylpiperidin-1-yl)octa-1,3,5-trien-3-amine?
(3Z,5Z)-4-ethenyl-5-(4-fluoro-4-methylpiperidin-1-yl)octa-1,3,5-trien-3-amine has a molecular weight of 264.39 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-4-ethenyl-5-(4-fluoro-4-methylpiperidin-1-yl)octa-1,3,5-trien-3-amine is sourced from PubChem (CID 156796461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).