4-(2,2,2-trifluoroethylamino)piperidine-1-carbaldehyde

C8H13F3N2O — CID 174888748

IUPAC4-(2,2,2-trifluoroethylamino)piperidine-1-carbaldehyde
SMILESO=CN1CCC(NCC(F)(F)F)CC1
InChIInChI=1S/C8H13F3N2O/c9-8(10,11)5-12-7-1-3-13(6-14)4-2-7/h6-7,12H,1-5H2
InChIKeyBVRXCTZEKGXXEG-UHFFFAOYSA-N
MW210.20 g/mol
LogP0.76
Rot. Bonds3

About 4-(2,2,2-trifluoroethylamino)piperidine-1-carbaldehyde

4-(2,2,2-trifluoroethylamino)piperidine-1-carbaldehyde (PubChem CID 174888748) has the molecular formula C8H13F3N2O and a molecular weight of 210.20 g/mol. Its IUPAC name is 4-(2,2,2-trifluoroethylamino)piperidine-1-carbaldehyde.

Molecular Properties

Compound Name4-(2,2,2-trifluoroethylamino)piperidine-1-carbaldehyde
PubChem CID174888748
Molecular FormulaC8H13F3N2O
Molecular Weight210.20 g/mol
Exact Mass210.10
IUPAC Name4-(2,2,2-trifluoroethylamino)piperidine-1-carbaldehyde
SMILESO=CN1CCC(NCC(F)(F)F)CC1
InChIInChI=1S/C8H13F3N2O/c9-8(10,11)5-12-7-1-3-13(6-14)4-2-7/h6-7,12H,1-5H2
InChIKeyBVRXCTZEKGXXEG-UHFFFAOYSA-N
XLogP0.76
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.20
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2,2-trifluoroethylamino)piperidine-1-carbaldehyde?
The IUPAC name of 4-(2,2,2-trifluoroethylamino)piperidine-1-carbaldehyde (CID 174888748) is 4-(2,2,2-trifluoroethylamino)piperidine-1-carbaldehyde.
What is the SMILES notation for 4-(2,2,2-trifluoroethylamino)piperidine-1-carbaldehyde?
The canonical SMILES for 4-(2,2,2-trifluoroethylamino)piperidine-1-carbaldehyde is O=CN1CCC(NCC(F)(F)F)CC1.
What is the InChIKey of 4-(2,2,2-trifluoroethylamino)piperidine-1-carbaldehyde?
The InChIKey is BVRXCTZEKGXXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O/c9-8(10,11)5-12-7-1-3-13(6-14)4-2-7/h6-7,12H,1-5H2.
What are the key properties of 4-(2,2,2-trifluoroethylamino)piperidine-1-carbaldehyde?
4-(2,2,2-trifluoroethylamino)piperidine-1-carbaldehyde has a molecular weight of 210.20 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,2-trifluoroethylamino)piperidine-1-carbaldehyde is sourced from PubChem (CID 174888748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).