2-[4-(trifluoromethyl)piperidin-1-yl]pent-1-en-3-imine

C11H17F3N2 — CID 167264314

IUPAC2-[4-(trifluoromethyl)piperidin-1-yl]pent-1-en-3-imine
SMILES[H]/N=C(\CC)C(=C)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C11H17F3N2/c1-3-10(15)8(2)16-6-4-9(5-7-16)11(12,13)14/h9,15H,2-7H2,1H3/b15-10+
InChIKeyPMLXBXBERQVBNU-XNTDXEJSSA-N
MW234.26 g/mol
LogP3.20
Rot. Bonds3

About 2-[4-(trifluoromethyl)piperidin-1-yl]pent-1-en-3-imine

2-[4-(trifluoromethyl)piperidin-1-yl]pent-1-en-3-imine (PubChem CID 167264314) has the molecular formula C11H17F3N2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)piperidin-1-yl]pent-1-en-3-imine.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)piperidin-1-yl]pent-1-en-3-imine
PubChem CID167264314
Molecular FormulaC11H17F3N2
Molecular Weight234.26 g/mol
Exact Mass234.13
IUPAC Name2-[4-(trifluoromethyl)piperidin-1-yl]pent-1-en-3-imine
SMILES[H]/N=C(\CC)C(=C)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C11H17F3N2/c1-3-10(15)8(2)16-6-4-9(5-7-16)11(12,13)14/h9,15H,2-7H2,1H3/b15-10+
InChIKeyPMLXBXBERQVBNU-XNTDXEJSSA-N
XLogP3.20
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethyl)piperidin-1-yl]pent-1-en-3-imine?
The IUPAC name of 2-[4-(trifluoromethyl)piperidin-1-yl]pent-1-en-3-imine (CID 167264314) is 2-[4-(trifluoromethyl)piperidin-1-yl]pent-1-en-3-imine.
What is the SMILES notation for 2-[4-(trifluoromethyl)piperidin-1-yl]pent-1-en-3-imine?
The canonical SMILES for 2-[4-(trifluoromethyl)piperidin-1-yl]pent-1-en-3-imine is [H]/N=C(\CC)C(=C)N1CCC(C(F)(F)F)CC1.
What is the InChIKey of 2-[4-(trifluoromethyl)piperidin-1-yl]pent-1-en-3-imine?
The InChIKey is PMLXBXBERQVBNU-XNTDXEJSSA-N. The full InChI is InChI=1S/C11H17F3N2/c1-3-10(15)8(2)16-6-4-9(5-7-16)11(12,13)14/h9,15H,2-7H2,1H3/b15-10+.
What are the key properties of 2-[4-(trifluoromethyl)piperidin-1-yl]pent-1-en-3-imine?
2-[4-(trifluoromethyl)piperidin-1-yl]pent-1-en-3-imine has a molecular weight of 234.26 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethyl)piperidin-1-yl]pent-1-en-3-imine is sourced from PubChem (CID 167264314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).