4-amino-3-fluoropiperidine-1-carbaldehyde

C6H11FN2O — CID 174684436

IUPAC4-amino-3-fluoropiperidine-1-carbaldehyde
SMILESNC1CCN(C=O)CC1F
InChIInChI=1S/C6H11FN2O/c7-5-3-9(4-10)2-1-6(5)8/h4-6H,1-3,8H2
InChIKeyJAXFUAWNFMRLRO-UHFFFAOYSA-N
MW146.16 g/mol
LogP-0.49
Rot. Bonds1

About 4-amino-3-fluoropiperidine-1-carbaldehyde

4-amino-3-fluoropiperidine-1-carbaldehyde (PubChem CID 174684436) has the molecular formula C6H11FN2O and a molecular weight of 146.16 g/mol. Its IUPAC name is 4-amino-3-fluoropiperidine-1-carbaldehyde.

Molecular Properties

Compound Name4-amino-3-fluoropiperidine-1-carbaldehyde
PubChem CID174684436
Molecular FormulaC6H11FN2O
Molecular Weight146.16 g/mol
Exact Mass146.09
IUPAC Name4-amino-3-fluoropiperidine-1-carbaldehyde
SMILESNC1CCN(C=O)CC1F
InChIInChI=1S/C6H11FN2O/c7-5-3-9(4-10)2-1-6(5)8/h4-6H,1-3,8H2
InChIKeyJAXFUAWNFMRLRO-UHFFFAOYSA-N
XLogP-0.49
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.16
LogP ≤ 5-0.49
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-amino-3-fluoropiperidine-1-carbaldehyde?
The IUPAC name of 4-amino-3-fluoropiperidine-1-carbaldehyde (CID 174684436) is 4-amino-3-fluoropiperidine-1-carbaldehyde.
What is the SMILES notation for 4-amino-3-fluoropiperidine-1-carbaldehyde?
The canonical SMILES for 4-amino-3-fluoropiperidine-1-carbaldehyde is NC1CCN(C=O)CC1F.
What is the InChIKey of 4-amino-3-fluoropiperidine-1-carbaldehyde?
The InChIKey is JAXFUAWNFMRLRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FN2O/c7-5-3-9(4-10)2-1-6(5)8/h4-6H,1-3,8H2.
What are the key properties of 4-amino-3-fluoropiperidine-1-carbaldehyde?
4-amino-3-fluoropiperidine-1-carbaldehyde has a molecular weight of 146.16 g/mol, XLogP of -0.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-fluoropiperidine-1-carbaldehyde is sourced from PubChem (CID 174684436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).