[4-(3,3,3-trifluoroprop-1-en-2-yl)piperidin-1-yl]methanimine

C9H13F3N2 — CID 145286988

IUPAC[4-(3,3,3-trifluoroprop-1-en-2-yl)piperidin-1-yl]methanimine
SMILES[H]/N=C/N1CCC(C(=C)C(F)(F)F)CC1
InChIInChI=1S/C9H13F3N2/c1-7(9(10,11)12)8-2-4-14(6-13)5-3-8/h6,8,13H,1-5H2/b13-6+
InChIKeyHLCDNRKEDABSGG-AWNIVKPZSA-N
MW206.21 g/mol
LogP2.42
Rot. Bonds2

About [4-(3,3,3-trifluoroprop-1-en-2-yl)piperidin-1-yl]methanimine

[4-(3,3,3-trifluoroprop-1-en-2-yl)piperidin-1-yl]methanimine (PubChem CID 145286988) has the molecular formula C9H13F3N2 and a molecular weight of 206.21 g/mol. Its IUPAC name is [4-(3,3,3-trifluoroprop-1-en-2-yl)piperidin-1-yl]methanimine.

Molecular Properties

Compound Name[4-(3,3,3-trifluoroprop-1-en-2-yl)piperidin-1-yl]methanimine
PubChem CID145286988
Molecular FormulaC9H13F3N2
Molecular Weight206.21 g/mol
Exact Mass206.10
IUPAC Name[4-(3,3,3-trifluoroprop-1-en-2-yl)piperidin-1-yl]methanimine
SMILES[H]/N=C/N1CCC(C(=C)C(F)(F)F)CC1
InChIInChI=1S/C9H13F3N2/c1-7(9(10,11)12)8-2-4-14(6-13)5-3-8/h6,8,13H,1-5H2/b13-6+
InChIKeyHLCDNRKEDABSGG-AWNIVKPZSA-N
XLogP2.42
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-(3,3,3-trifluoroprop-1-en-2-yl)piperidin-1-yl]methanimine?
The IUPAC name of [4-(3,3,3-trifluoroprop-1-en-2-yl)piperidin-1-yl]methanimine (CID 145286988) is [4-(3,3,3-trifluoroprop-1-en-2-yl)piperidin-1-yl]methanimine.
What is the SMILES notation for [4-(3,3,3-trifluoroprop-1-en-2-yl)piperidin-1-yl]methanimine?
The canonical SMILES for [4-(3,3,3-trifluoroprop-1-en-2-yl)piperidin-1-yl]methanimine is [H]/N=C/N1CCC(C(=C)C(F)(F)F)CC1.
What is the InChIKey of [4-(3,3,3-trifluoroprop-1-en-2-yl)piperidin-1-yl]methanimine?
The InChIKey is HLCDNRKEDABSGG-AWNIVKPZSA-N. The full InChI is InChI=1S/C9H13F3N2/c1-7(9(10,11)12)8-2-4-14(6-13)5-3-8/h6,8,13H,1-5H2/b13-6+.
What are the key properties of [4-(3,3,3-trifluoroprop-1-en-2-yl)piperidin-1-yl]methanimine?
[4-(3,3,3-trifluoroprop-1-en-2-yl)piperidin-1-yl]methanimine has a molecular weight of 206.21 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,3,3-trifluoroprop-1-en-2-yl)piperidin-1-yl]methanimine is sourced from PubChem (CID 145286988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).