4-(3,3,3-trifluoropropylamino)piperidine-1-carbaldehyde

C9H15F3N2O — CID 175072422

IUPAC4-(3,3,3-trifluoropropylamino)piperidine-1-carbaldehyde
SMILESO=CN1CCC(NCCC(F)(F)F)CC1
InChIInChI=1S/C9H15F3N2O/c10-9(11,12)3-4-13-8-1-5-14(7-15)6-2-8/h7-8,13H,1-6H2
InChIKeyNJVJFBKJVPYGAJ-UHFFFAOYSA-N
MW224.23 g/mol
LogP1.15
Rot. Bonds4

About 4-(3,3,3-trifluoropropylamino)piperidine-1-carbaldehyde

4-(3,3,3-trifluoropropylamino)piperidine-1-carbaldehyde (PubChem CID 175072422) has the molecular formula C9H15F3N2O and a molecular weight of 224.23 g/mol. Its IUPAC name is 4-(3,3,3-trifluoropropylamino)piperidine-1-carbaldehyde.

Molecular Properties

Compound Name4-(3,3,3-trifluoropropylamino)piperidine-1-carbaldehyde
PubChem CID175072422
Molecular FormulaC9H15F3N2O
Molecular Weight224.23 g/mol
Exact Mass224.11
IUPAC Name4-(3,3,3-trifluoropropylamino)piperidine-1-carbaldehyde
SMILESO=CN1CCC(NCCC(F)(F)F)CC1
InChIInChI=1S/C9H15F3N2O/c10-9(11,12)3-4-13-8-1-5-14(7-15)6-2-8/h7-8,13H,1-6H2
InChIKeyNJVJFBKJVPYGAJ-UHFFFAOYSA-N
XLogP1.15
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 51.15
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-(3,3,3-trifluoropropylamino)piperidine-1-carbaldehyde?
The IUPAC name of 4-(3,3,3-trifluoropropylamino)piperidine-1-carbaldehyde (CID 175072422) is 4-(3,3,3-trifluoropropylamino)piperidine-1-carbaldehyde.
What is the SMILES notation for 4-(3,3,3-trifluoropropylamino)piperidine-1-carbaldehyde?
The canonical SMILES for 4-(3,3,3-trifluoropropylamino)piperidine-1-carbaldehyde is O=CN1CCC(NCCC(F)(F)F)CC1.
What is the InChIKey of 4-(3,3,3-trifluoropropylamino)piperidine-1-carbaldehyde?
The InChIKey is NJVJFBKJVPYGAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O/c10-9(11,12)3-4-13-8-1-5-14(7-15)6-2-8/h7-8,13H,1-6H2.
What are the key properties of 4-(3,3,3-trifluoropropylamino)piperidine-1-carbaldehyde?
4-(3,3,3-trifluoropropylamino)piperidine-1-carbaldehyde has a molecular weight of 224.23 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3,3-trifluoropropylamino)piperidine-1-carbaldehyde is sourced from PubChem (CID 175072422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).