4-[(2-fluorocyclopropyl)amino]piperidine-1-carbaldehyde

C9H15FN2O — CID 175070212

IUPAC4-[(2-fluorocyclopropyl)amino]piperidine-1-carbaldehyde
SMILESO=CN1CCC(NC2CC2F)CC1
InChIInChI=1S/C9H15FN2O/c10-8-5-9(8)11-7-1-3-12(6-13)4-2-7/h6-9,11H,1-5H2
InChIKeyNIJIYSXDVJGTQK-UHFFFAOYSA-N
MW186.23 g/mol
LogP0.31
Rot. Bonds3

About 4-[(2-fluorocyclopropyl)amino]piperidine-1-carbaldehyde

4-[(2-fluorocyclopropyl)amino]piperidine-1-carbaldehyde (PubChem CID 175070212) has the molecular formula C9H15FN2O and a molecular weight of 186.23 g/mol. Its IUPAC name is 4-[(2-fluorocyclopropyl)amino]piperidine-1-carbaldehyde.

Molecular Properties

Compound Name4-[(2-fluorocyclopropyl)amino]piperidine-1-carbaldehyde
PubChem CID175070212
Molecular FormulaC9H15FN2O
Molecular Weight186.23 g/mol
Exact Mass186.12
IUPAC Name4-[(2-fluorocyclopropyl)amino]piperidine-1-carbaldehyde
SMILESO=CN1CCC(NC2CC2F)CC1
InChIInChI=1S/C9H15FN2O/c10-8-5-9(8)11-7-1-3-12(6-13)4-2-7/h6-9,11H,1-5H2
InChIKeyNIJIYSXDVJGTQK-UHFFFAOYSA-N
XLogP0.31
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.23
LogP ≤ 50.31
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-fluorocyclopropyl)amino]piperidine-1-carbaldehyde?
The IUPAC name of 4-[(2-fluorocyclopropyl)amino]piperidine-1-carbaldehyde (CID 175070212) is 4-[(2-fluorocyclopropyl)amino]piperidine-1-carbaldehyde.
What is the SMILES notation for 4-[(2-fluorocyclopropyl)amino]piperidine-1-carbaldehyde?
The canonical SMILES for 4-[(2-fluorocyclopropyl)amino]piperidine-1-carbaldehyde is O=CN1CCC(NC2CC2F)CC1.
What is the InChIKey of 4-[(2-fluorocyclopropyl)amino]piperidine-1-carbaldehyde?
The InChIKey is NIJIYSXDVJGTQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FN2O/c10-8-5-9(8)11-7-1-3-12(6-13)4-2-7/h6-9,11H,1-5H2.
What are the key properties of 4-[(2-fluorocyclopropyl)amino]piperidine-1-carbaldehyde?
4-[(2-fluorocyclopropyl)amino]piperidine-1-carbaldehyde has a molecular weight of 186.23 g/mol, XLogP of 0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluorocyclopropyl)amino]piperidine-1-carbaldehyde is sourced from PubChem (CID 175070212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).