(3E)-4-[4-(trifluoromethyl)piperidin-1-yl]buta-1,3-diene-1,1,4-triamine

C10H17F3N4 — CID 178030432

IUPAC(3E)-4-[4-(trifluoromethyl)piperidin-1-yl]buta-1,3-diene-1,1,4-triamine
SMILESNC(N)=C/C=C(\N)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C10H17F3N4/c11-10(12,13)7-3-5-17(6-4-7)9(16)2-1-8(14)15/h1-2,7H,3-6,14-16H2/b9-2+
InChIKeyNDHQWVHLNZTTRY-XNWCZRBMSA-N
MW250.27 g/mol
LogP0.82
Rot. Bonds2

About (3E)-4-[4-(trifluoromethyl)piperidin-1-yl]buta-1,3-diene-1,1,4-triamine

(3E)-4-[4-(trifluoromethyl)piperidin-1-yl]buta-1,3-diene-1,1,4-triamine (PubChem CID 178030432) has the molecular formula C10H17F3N4 and a molecular weight of 250.27 g/mol. Its IUPAC name is (3E)-4-[4-(trifluoromethyl)piperidin-1-yl]buta-1,3-diene-1,1,4-triamine.

Molecular Properties

Compound Name(3E)-4-[4-(trifluoromethyl)piperidin-1-yl]buta-1,3-diene-1,1,4-triamine
PubChem CID178030432
Molecular FormulaC10H17F3N4
Molecular Weight250.27 g/mol
Exact Mass250.14
IUPAC Name(3E)-4-[4-(trifluoromethyl)piperidin-1-yl]buta-1,3-diene-1,1,4-triamine
SMILESNC(N)=C/C=C(\N)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C10H17F3N4/c11-10(12,13)7-3-5-17(6-4-7)9(16)2-1-8(14)15/h1-2,7H,3-6,14-16H2/b9-2+
InChIKeyNDHQWVHLNZTTRY-XNWCZRBMSA-N
XLogP0.82
TPSA81.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E)-4-[4-(trifluoromethyl)piperidin-1-yl]buta-1,3-diene-1,1,4-triamine?
The IUPAC name of (3E)-4-[4-(trifluoromethyl)piperidin-1-yl]buta-1,3-diene-1,1,4-triamine (CID 178030432) is (3E)-4-[4-(trifluoromethyl)piperidin-1-yl]buta-1,3-diene-1,1,4-triamine.
What is the SMILES notation for (3E)-4-[4-(trifluoromethyl)piperidin-1-yl]buta-1,3-diene-1,1,4-triamine?
The canonical SMILES for (3E)-4-[4-(trifluoromethyl)piperidin-1-yl]buta-1,3-diene-1,1,4-triamine is NC(N)=C/C=C(\N)N1CCC(C(F)(F)F)CC1.
What is the InChIKey of (3E)-4-[4-(trifluoromethyl)piperidin-1-yl]buta-1,3-diene-1,1,4-triamine?
The InChIKey is NDHQWVHLNZTTRY-XNWCZRBMSA-N. The full InChI is InChI=1S/C10H17F3N4/c11-10(12,13)7-3-5-17(6-4-7)9(16)2-1-8(14)15/h1-2,7H,3-6,14-16H2/b9-2+.
What are the key properties of (3E)-4-[4-(trifluoromethyl)piperidin-1-yl]buta-1,3-diene-1,1,4-triamine?
(3E)-4-[4-(trifluoromethyl)piperidin-1-yl]buta-1,3-diene-1,1,4-triamine has a molecular weight of 250.27 g/mol, XLogP of 0.82, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-4-[4-(trifluoromethyl)piperidin-1-yl]buta-1,3-diene-1,1,4-triamine is sourced from PubChem (CID 178030432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).