(1Z,3E)-3-N-[(3Z)-4-methylocta-1,3-dien-2-yl]-1-piperidin-4-yl-5-[2-(trifluoromethyl)phenyl]penta-1,3-diene-1,3-diamine

C26H36F3N3 — CID 142127425

IUPAC(1Z,3E)-3-N-[(3Z)-4-methylocta-1,3-dien-2-yl]-1-piperidin-4-yl-5-[2-(trifluoromethyl)phenyl]penta-1,3-diene-1,3-diamine
SMILESC=C(/C=C(/C)CCCC)NC(/C=C(\N)C1CCNCC1)=C/Cc1ccccc1C(F)(F)F
InChIInChI=1S/C26H36F3N3/c1-4-5-8-19(2)17-20(3)32-23(18-25(30)22-13-15-31-16-14-22)12-11-21-9-6-7-10-24(21)26(27,28)29/h6-7,9-10,12,17-18,22,31-32H,3-5,8,11,13-16,30H2,1-2H3/b19-17-,23-12+,25-18-
InChIKeyVUFXSPBZJSLEBY-LGZLXLGPSA-N
MW447.59 g/mol
LogP6.21
Rot. Bonds10

About (1Z,3E)-3-N-[(3Z)-4-methylocta-1,3-dien-2-yl]-1-piperidin-4-yl-5-[2-(trifluoromethyl)phenyl]penta-1,3-diene-1,3-diamine

(1Z,3E)-3-N-[(3Z)-4-methylocta-1,3-dien-2-yl]-1-piperidin-4-yl-5-[2-(trifluoromethyl)phenyl]penta-1,3-diene-1,3-diamine (PubChem CID 142127425) has the molecular formula C26H36F3N3 and a molecular weight of 447.59 g/mol. Its IUPAC name is (1Z,3E)-3-N-[(3Z)-4-methylocta-1,3-dien-2-yl]-1-piperidin-4-yl-5-[2-(trifluoromethyl)phenyl]penta-1,3-diene-1,3-diamine.

Molecular Properties

Compound Name(1Z,3E)-3-N-[(3Z)-4-methylocta-1,3-dien-2-yl]-1-piperidin-4-yl-5-[2-(trifluoromethyl)phenyl]penta-1,3-diene-1,3-diamine
PubChem CID142127425
Molecular FormulaC26H36F3N3
Molecular Weight447.59 g/mol
Exact Mass447.29
IUPAC Name(1Z,3E)-3-N-[(3Z)-4-methylocta-1,3-dien-2-yl]-1-piperidin-4-yl-5-[2-(trifluoromethyl)phenyl]penta-1,3-diene-1,3-diamine
SMILESC=C(/C=C(/C)CCCC)NC(/C=C(\N)C1CCNCC1)=C/Cc1ccccc1C(F)(F)F
InChIInChI=1S/C26H36F3N3/c1-4-5-8-19(2)17-20(3)32-23(18-25(30)22-13-15-31-16-14-22)12-11-21-9-6-7-10-24(21)26(27,28)29/h6-7,9-10,12,17-18,22,31-32H,3-5,8,11,13-16,30H2,1-2H3/b19-17-,23-12+,25-18-
InChIKeyVUFXSPBZJSLEBY-LGZLXLGPSA-N
XLogP6.21
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.59
LogP ≤ 56.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1Z,3E)-3-N-[(3Z)-4-methylocta-1,3-dien-2-yl]-1-piperidin-4-yl-5-[2-(trifluoromethyl)phenyl]penta-1,3-diene-1,3-diamine with MolForge

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Related Compounds

(1Z,3E)-1-cyclohexyl-3-N-[1-[2-(propylamino)phenyl]ethenyl]-5-[2-(trifluoromethyl)phenyl]penta-1,3-diene-1,3-diamine
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N-ethyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
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N-methyl-N-piperidin-4-yl-1-[2-(trifluoromethyl)phenyl]methanesulfonamide;hydrochloride
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N-cyclopentyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
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1-(4-methylpiperidin-4-yl)-2-[2-(trifluoromethyl)phenyl]ethanone
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Frequently Asked Questions

What is the IUPAC name of (1Z,3E)-3-N-[(3Z)-4-methylocta-1,3-dien-2-yl]-1-piperidin-4-yl-5-[2-(trifluoromethyl)phenyl]penta-1,3-diene-1,3-diamine?
The IUPAC name of (1Z,3E)-3-N-[(3Z)-4-methylocta-1,3-dien-2-yl]-1-piperidin-4-yl-5-[2-(trifluoromethyl)phenyl]penta-1,3-diene-1,3-diamine (CID 142127425) is (1Z,3E)-3-N-[(3Z)-4-methylocta-1,3-dien-2-yl]-1-piperidin-4-yl-5-[2-(trifluoromethyl)phenyl]penta-1,3-diene-1,3-diamine.
What is the SMILES notation for (1Z,3E)-3-N-[(3Z)-4-methylocta-1,3-dien-2-yl]-1-piperidin-4-yl-5-[2-(trifluoromethyl)phenyl]penta-1,3-diene-1,3-diamine?
The canonical SMILES for (1Z,3E)-3-N-[(3Z)-4-methylocta-1,3-dien-2-yl]-1-piperidin-4-yl-5-[2-(trifluoromethyl)phenyl]penta-1,3-diene-1,3-diamine is C=C(/C=C(/C)CCCC)NC(/C=C(\N)C1CCNCC1)=C/Cc1ccccc1C(F)(F)F.
What is the InChIKey of (1Z,3E)-3-N-[(3Z)-4-methylocta-1,3-dien-2-yl]-1-piperidin-4-yl-5-[2-(trifluoromethyl)phenyl]penta-1,3-diene-1,3-diamine?
The InChIKey is VUFXSPBZJSLEBY-LGZLXLGPSA-N. The full InChI is InChI=1S/C26H36F3N3/c1-4-5-8-19(2)17-20(3)32-23(18-25(30)22-13-15-31-16-14-22)12-11-21-9-6-7-10-24(21)26(27,28)29/h6-7,9-10,12,17-18,22,31-32H,3-5,8,11,13-16,30H2,1-2H3/b19-17-,23-12+,25-18-.
What are the key properties of (1Z,3E)-3-N-[(3Z)-4-methylocta-1,3-dien-2-yl]-1-piperidin-4-yl-5-[2-(trifluoromethyl)phenyl]penta-1,3-diene-1,3-diamine?
(1Z,3E)-3-N-[(3Z)-4-methylocta-1,3-dien-2-yl]-1-piperidin-4-yl-5-[2-(trifluoromethyl)phenyl]penta-1,3-diene-1,3-diamine has a molecular weight of 447.59 g/mol, XLogP of 6.21, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E)-3-N-[(3Z)-4-methylocta-1,3-dien-2-yl]-1-piperidin-4-yl-5-[2-(trifluoromethyl)phenyl]penta-1,3-diene-1,3-diamine is sourced from PubChem (CID 142127425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).