5-fluoro-2-piperidin-1-ylbenzaldehyde

C12H14FNO — CID 43312926

IUPAC5-fluoro-2-piperidin-1-ylbenzaldehyde
SMILESO=Cc1cc(F)ccc1N1CCCCC1
InChIInChI=1S/C12H14FNO/c13-11-4-5-12(10(8-11)9-15)14-6-2-1-3-7-14/h4-5,8-9H,1-3,6-7H2
InChIKeyNBQJECVEQSTHKA-UHFFFAOYSA-N
MW207.25 g/mol
LogP2.63
Rot. Bonds2

About 5-fluoro-2-piperidin-1-ylbenzaldehyde

5-fluoro-2-piperidin-1-ylbenzaldehyde (PubChem CID 43312926) has the molecular formula C12H14FNO and a molecular weight of 207.25 g/mol. Its IUPAC name is 5-fluoro-2-piperidin-1-ylbenzaldehyde.

Molecular Properties

Compound Name5-fluoro-2-piperidin-1-ylbenzaldehyde
PubChem CID43312926
Molecular FormulaC12H14FNO
Molecular Weight207.25 g/mol
Exact Mass207.11
IUPAC Name5-fluoro-2-piperidin-1-ylbenzaldehyde
SMILESO=Cc1cc(F)ccc1N1CCCCC1
InChIInChI=1S/C12H14FNO/c13-11-4-5-12(10(8-11)9-15)14-6-2-1-3-7-14/h4-5,8-9H,1-3,6-7H2
InChIKeyNBQJECVEQSTHKA-UHFFFAOYSA-N
XLogP2.63
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 52.63
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 5-fluoro-2-piperidin-1-ylbenzaldehyde?
The IUPAC name of 5-fluoro-2-piperidin-1-ylbenzaldehyde (CID 43312926) is 5-fluoro-2-piperidin-1-ylbenzaldehyde.
What is the SMILES notation for 5-fluoro-2-piperidin-1-ylbenzaldehyde?
The canonical SMILES for 5-fluoro-2-piperidin-1-ylbenzaldehyde is O=Cc1cc(F)ccc1N1CCCCC1.
What is the InChIKey of 5-fluoro-2-piperidin-1-ylbenzaldehyde?
The InChIKey is NBQJECVEQSTHKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO/c13-11-4-5-12(10(8-11)9-15)14-6-2-1-3-7-14/h4-5,8-9H,1-3,6-7H2.
What are the key properties of 5-fluoro-2-piperidin-1-ylbenzaldehyde?
5-fluoro-2-piperidin-1-ylbenzaldehyde has a molecular weight of 207.25 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-piperidin-1-ylbenzaldehyde is sourced from PubChem (CID 43312926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).