N-[(2Z)-3-[4-(trifluoromethyl)piperidin-1-yl]penta-2,4-dien-2-yl]methanimine

C12H17F3N2 — CID 166552582

IUPACN-[(2Z)-3-[4-(trifluoromethyl)piperidin-1-yl]penta-2,4-dien-2-yl]methanimine
SMILESC=C/C(=C(\C)N=C)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H17F3N2/c1-4-11(9(2)16-3)17-7-5-10(6-8-17)12(13,14)15/h4,10H,1,3,5-8H2,2H3/b11-9-
InChIKeyHKWJWMWJUNFVFT-LUAWRHEFSA-N
MW246.28 g/mol
LogP3.38
Rot. Bonds3

About N-[(2Z)-3-[4-(trifluoromethyl)piperidin-1-yl]penta-2,4-dien-2-yl]methanimine

N-[(2Z)-3-[4-(trifluoromethyl)piperidin-1-yl]penta-2,4-dien-2-yl]methanimine (PubChem CID 166552582) has the molecular formula C12H17F3N2 and a molecular weight of 246.28 g/mol. Its IUPAC name is N-[(2Z)-3-[4-(trifluoromethyl)piperidin-1-yl]penta-2,4-dien-2-yl]methanimine.

Molecular Properties

Compound NameN-[(2Z)-3-[4-(trifluoromethyl)piperidin-1-yl]penta-2,4-dien-2-yl]methanimine
PubChem CID166552582
Molecular FormulaC12H17F3N2
Molecular Weight246.28 g/mol
Exact Mass246.13
IUPAC NameN-[(2Z)-3-[4-(trifluoromethyl)piperidin-1-yl]penta-2,4-dien-2-yl]methanimine
SMILESC=C/C(=C(\C)N=C)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H17F3N2/c1-4-11(9(2)16-3)17-7-5-10(6-8-17)12(13,14)15/h4,10H,1,3,5-8H2,2H3/b11-9-
InChIKeyHKWJWMWJUNFVFT-LUAWRHEFSA-N
XLogP3.38
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2Z)-3-[4-(trifluoromethyl)piperidin-1-yl]penta-2,4-dien-2-yl]methanimine?
The IUPAC name of N-[(2Z)-3-[4-(trifluoromethyl)piperidin-1-yl]penta-2,4-dien-2-yl]methanimine (CID 166552582) is N-[(2Z)-3-[4-(trifluoromethyl)piperidin-1-yl]penta-2,4-dien-2-yl]methanimine.
What is the SMILES notation for N-[(2Z)-3-[4-(trifluoromethyl)piperidin-1-yl]penta-2,4-dien-2-yl]methanimine?
The canonical SMILES for N-[(2Z)-3-[4-(trifluoromethyl)piperidin-1-yl]penta-2,4-dien-2-yl]methanimine is C=C/C(=C(\C)N=C)N1CCC(C(F)(F)F)CC1.
What is the InChIKey of N-[(2Z)-3-[4-(trifluoromethyl)piperidin-1-yl]penta-2,4-dien-2-yl]methanimine?
The InChIKey is HKWJWMWJUNFVFT-LUAWRHEFSA-N. The full InChI is InChI=1S/C12H17F3N2/c1-4-11(9(2)16-3)17-7-5-10(6-8-17)12(13,14)15/h4,10H,1,3,5-8H2,2H3/b11-9-.
What are the key properties of N-[(2Z)-3-[4-(trifluoromethyl)piperidin-1-yl]penta-2,4-dien-2-yl]methanimine?
N-[(2Z)-3-[4-(trifluoromethyl)piperidin-1-yl]penta-2,4-dien-2-yl]methanimine has a molecular weight of 246.28 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z)-3-[4-(trifluoromethyl)piperidin-1-yl]penta-2,4-dien-2-yl]methanimine is sourced from PubChem (CID 166552582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).