(3Z,5E)-2,4,6-trifluoro-7-piperidin-4-ylhepta-3,5-dien-3-amine

C12H19F3N2 — CID 143082490

IUPAC(3Z,5E)-2,4,6-trifluoro-7-piperidin-4-ylhepta-3,5-dien-3-amine
SMILESCC(F)/C(N)=C(F)\C=C(\F)CC1CCNCC1
InChIInChI=1S/C12H19F3N2/c1-8(13)12(16)11(15)7-10(14)6-9-2-4-17-5-3-9/h7-9,17H,2-6,16H2,1H3/b10-7+,12-11-
InChIKeySIVUVWJHTAAYGE-GRHXWORQSA-N
MW248.29 g/mol
LogP2.73
Rot. Bonds4

About (3Z,5E)-2,4,6-trifluoro-7-piperidin-4-ylhepta-3,5-dien-3-amine

(3Z,5E)-2,4,6-trifluoro-7-piperidin-4-ylhepta-3,5-dien-3-amine (PubChem CID 143082490) has the molecular formula C12H19F3N2 and a molecular weight of 248.29 g/mol. Its IUPAC name is (3Z,5E)-2,4,6-trifluoro-7-piperidin-4-ylhepta-3,5-dien-3-amine.

Molecular Properties

Compound Name(3Z,5E)-2,4,6-trifluoro-7-piperidin-4-ylhepta-3,5-dien-3-amine
PubChem CID143082490
Molecular FormulaC12H19F3N2
Molecular Weight248.29 g/mol
Exact Mass248.15
IUPAC Name(3Z,5E)-2,4,6-trifluoro-7-piperidin-4-ylhepta-3,5-dien-3-amine
SMILESCC(F)/C(N)=C(F)\C=C(\F)CC1CCNCC1
InChIInChI=1S/C12H19F3N2/c1-8(13)12(16)11(15)7-10(14)6-9-2-4-17-5-3-9/h7-9,17H,2-6,16H2,1H3/b10-7+,12-11-
InChIKeySIVUVWJHTAAYGE-GRHXWORQSA-N
XLogP2.73
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-Piperidin-4-yl-2-(trifluoromethyl)-1,2-dihydropyridine
CID 69099444
2-Piperidin-4-yl-6-(trifluoromethyl)-1,2-dihydropyridine
CID 69099446
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
4-[(3E,5E)-6-fluorohepta-1,3,5-trien-3-yl]piperidin-4-amine
CID 88582935
4-[(3E)-3-fluorohexa-1,3,5-trien-2-yl]piperidine
CID 89162763
4-[4-(3-Fluoro-3-methylpyrrolidin-1-yl)penta-2,4-dien-2-yl]piperidine
CID 123309603
4-[1-(2-Fluoroethyl)piperidin-4-yl]cyclohepta-1,3,5,6-tetraen-1-amine
CID 123442072
1-(3-Fluoro-6-methylcyclohexa-1,3-dien-1-yl)piperazine
CID 123598247
4-(5-Fluorohepta-3,5-dien-2-yl)-3-methylpiperidin-4-amine
CID 123833845
1-[(3Z,5E)-7,7,7-trifluoro-6-methyl-3-piperidin-4-ylhepta-1,3,5-trien-2-yl]piperidine
CID 126750716
(Z)-1-(4-aminocyclohexa-2,4-dien-1-yl)-5,5-difluoro-2-N-methylhex-2-ene-2,4-diamine
CID 130179797

Frequently Asked Questions

What is the IUPAC name of (3Z,5E)-2,4,6-trifluoro-7-piperidin-4-ylhepta-3,5-dien-3-amine?
The IUPAC name of (3Z,5E)-2,4,6-trifluoro-7-piperidin-4-ylhepta-3,5-dien-3-amine (CID 143082490) is (3Z,5E)-2,4,6-trifluoro-7-piperidin-4-ylhepta-3,5-dien-3-amine.
What is the SMILES notation for (3Z,5E)-2,4,6-trifluoro-7-piperidin-4-ylhepta-3,5-dien-3-amine?
The canonical SMILES for (3Z,5E)-2,4,6-trifluoro-7-piperidin-4-ylhepta-3,5-dien-3-amine is CC(F)/C(N)=C(F)\C=C(\F)CC1CCNCC1.
What is the InChIKey of (3Z,5E)-2,4,6-trifluoro-7-piperidin-4-ylhepta-3,5-dien-3-amine?
The InChIKey is SIVUVWJHTAAYGE-GRHXWORQSA-N. The full InChI is InChI=1S/C12H19F3N2/c1-8(13)12(16)11(15)7-10(14)6-9-2-4-17-5-3-9/h7-9,17H,2-6,16H2,1H3/b10-7+,12-11-.
What are the key properties of (3Z,5E)-2,4,6-trifluoro-7-piperidin-4-ylhepta-3,5-dien-3-amine?
(3Z,5E)-2,4,6-trifluoro-7-piperidin-4-ylhepta-3,5-dien-3-amine has a molecular weight of 248.29 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-2,4,6-trifluoro-7-piperidin-4-ylhepta-3,5-dien-3-amine is sourced from PubChem (CID 143082490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).