(2R)-2-(2-fluorophenyl)-2-piperidin-1-ylacetaldehyde

C13H16FNO — CID 123216124

IUPAC(2R)-2-(2-fluorophenyl)-2-piperidin-1-ylacetaldehyde
SMILESO=C[C@@H](c1ccccc1F)N1CCCCC1
InChIInChI=1S/C13H16FNO/c14-12-7-3-2-6-11(12)13(10-16)15-8-4-1-5-9-15/h2-3,6-7,10,13H,1,4-5,8-9H2/t13-/m0/s1
InChIKeyDKHLSXVUJLRXTJ-ZDUSSCGKSA-N
MW221.28 g/mol
LogP2.55
Rot. Bonds3

About (2R)-2-(2-fluorophenyl)-2-piperidin-1-ylacetaldehyde

(2R)-2-(2-fluorophenyl)-2-piperidin-1-ylacetaldehyde (PubChem CID 123216124) has the molecular formula C13H16FNO and a molecular weight of 221.28 g/mol. Its IUPAC name is (2R)-2-(2-fluorophenyl)-2-piperidin-1-ylacetaldehyde.

Molecular Properties

Compound Name(2R)-2-(2-fluorophenyl)-2-piperidin-1-ylacetaldehyde
PubChem CID123216124
Molecular FormulaC13H16FNO
Molecular Weight221.28 g/mol
Exact Mass221.12
IUPAC Name(2R)-2-(2-fluorophenyl)-2-piperidin-1-ylacetaldehyde
SMILESO=C[C@@H](c1ccccc1F)N1CCCCC1
InChIInChI=1S/C13H16FNO/c14-12-7-3-2-6-11(12)13(10-16)15-8-4-1-5-9-15/h2-3,6-7,10,13H,1,4-5,8-9H2/t13-/m0/s1
InChIKeyDKHLSXVUJLRXTJ-ZDUSSCGKSA-N
XLogP2.55
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 52.55
H-Bond Donors ≤ 50
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 (2R)-2-(2-fluorophenyl)-2-piperidin-1-ylacetaldehyde?
The IUPAC name of (2R)-2-(2-fluorophenyl)-2-piperidin-1-ylacetaldehyde (CID 123216124) is (2R)-2-(2-fluorophenyl)-2-piperidin-1-ylacetaldehyde.
What is the SMILES notation for (2R)-2-(2-fluorophenyl)-2-piperidin-1-ylacetaldehyde?
The canonical SMILES for (2R)-2-(2-fluorophenyl)-2-piperidin-1-ylacetaldehyde is O=C[C@@H](c1ccccc1F)N1CCCCC1.
What is the InChIKey of (2R)-2-(2-fluorophenyl)-2-piperidin-1-ylacetaldehyde?
The InChIKey is DKHLSXVUJLRXTJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H16FNO/c14-12-7-3-2-6-11(12)13(10-16)15-8-4-1-5-9-15/h2-3,6-7,10,13H,1,4-5,8-9H2/t13-/m0/s1.
What are the key properties of (2R)-2-(2-fluorophenyl)-2-piperidin-1-ylacetaldehyde?
(2R)-2-(2-fluorophenyl)-2-piperidin-1-ylacetaldehyde has a molecular weight of 221.28 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-fluorophenyl)-2-piperidin-1-ylacetaldehyde is sourced from PubChem (CID 123216124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).