(3E)-4-fluoro-5-piperidin-1-ylhexa-1,3,5-trien-2-amine

C11H17FN2 — CID 143599145

IUPAC(3E)-4-fluoro-5-piperidin-1-ylhexa-1,3,5-trien-2-amine
SMILESC=C(N)/C=C(/F)C(=C)N1CCCCC1
InChIInChI=1S/C11H17FN2/c1-9(13)8-11(12)10(2)14-6-4-3-5-7-14/h8H,1-7,13H2/b11-8+
InChIKeyIGMXFFCIJMIEMB-DHZHZOJOSA-N
MW196.27 g/mol
LogP2.31
Rot. Bonds3

About (3E)-4-fluoro-5-piperidin-1-ylhexa-1,3,5-trien-2-amine

(3E)-4-fluoro-5-piperidin-1-ylhexa-1,3,5-trien-2-amine (PubChem CID 143599145) has the molecular formula C11H17FN2 and a molecular weight of 196.27 g/mol. Its IUPAC name is (3E)-4-fluoro-5-piperidin-1-ylhexa-1,3,5-trien-2-amine.

Molecular Properties

Compound Name(3E)-4-fluoro-5-piperidin-1-ylhexa-1,3,5-trien-2-amine
PubChem CID143599145
Molecular FormulaC11H17FN2
Molecular Weight196.27 g/mol
Exact Mass196.14
IUPAC Name(3E)-4-fluoro-5-piperidin-1-ylhexa-1,3,5-trien-2-amine
SMILESC=C(N)/C=C(/F)C(=C)N1CCCCC1
InChIInChI=1S/C11H17FN2/c1-9(13)8-11(12)10(2)14-6-4-3-5-7-14/h8H,1-7,13H2/b11-8+
InChIKeyIGMXFFCIJMIEMB-DHZHZOJOSA-N
XLogP2.31
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(3-Fluoropiperidin-1-yl)prop-1-en-2-amine
CID 89294562
1-[1-(2-fluoroethyl)piperidin-3-yl]-2H-pyridin-3-amine
CID 139373459
1-[1-(2-fluoroethyl)piperidin-4-yl]-2H-pyridin-3-amine
CID 139383870
5-fluoro-1-(1-methylpiperidin-4-yl)-2H-pyridin-3-amine
CID 139390472
(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
5-Fluoro-4-piperidin-1-ylcyclohexa-1,5-dien-1-amine
CID 146517316
(2Z,4Z)-2-(4,4-difluoropiperidin-1-yl)hepta-2,4,6-trien-3-amine
CID 156371502
(2Z,4Z)-3-(4-fluoropiperidin-1-yl)hepta-2,4,6-trien-2-amine
CID 156739146
(3Z,5Z)-3-(4,4-difluoropiperidin-1-yl)hepta-1,3,5-trien-4-amine
CID 163241437
1-pentyl-2H-pyridin-4-amine
CID 67896761

Frequently Asked Questions

What is the IUPAC name of (3E)-4-fluoro-5-piperidin-1-ylhexa-1,3,5-trien-2-amine?
The IUPAC name of (3E)-4-fluoro-5-piperidin-1-ylhexa-1,3,5-trien-2-amine (CID 143599145) is (3E)-4-fluoro-5-piperidin-1-ylhexa-1,3,5-trien-2-amine.
What is the SMILES notation for (3E)-4-fluoro-5-piperidin-1-ylhexa-1,3,5-trien-2-amine?
The canonical SMILES for (3E)-4-fluoro-5-piperidin-1-ylhexa-1,3,5-trien-2-amine is C=C(N)/C=C(/F)C(=C)N1CCCCC1.
What is the InChIKey of (3E)-4-fluoro-5-piperidin-1-ylhexa-1,3,5-trien-2-amine?
The InChIKey is IGMXFFCIJMIEMB-DHZHZOJOSA-N. The full InChI is InChI=1S/C11H17FN2/c1-9(13)8-11(12)10(2)14-6-4-3-5-7-14/h8H,1-7,13H2/b11-8+.
What are the key properties of (3E)-4-fluoro-5-piperidin-1-ylhexa-1,3,5-trien-2-amine?
(3E)-4-fluoro-5-piperidin-1-ylhexa-1,3,5-trien-2-amine has a molecular weight of 196.27 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-4-fluoro-5-piperidin-1-ylhexa-1,3,5-trien-2-amine is sourced from PubChem (CID 143599145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).