3-(2,5-dimethylpiperidin-1-yl)-5-fluorobenzaldehyde

C14H18FNO — CID 106529309

IUPAC3-(2,5-dimethylpiperidin-1-yl)-5-fluorobenzaldehyde
SMILESCC1CCC(C)N(c2cc(F)cc(C=O)c2)C1
InChIInChI=1S/C14H18FNO/c1-10-3-4-11(2)16(8-10)14-6-12(9-17)5-13(15)7-14/h5-7,9-11H,3-4,8H2,1-2H3
InChIKeyGEHVCKAGXBTISQ-UHFFFAOYSA-N
MW235.30 g/mol
LogP3.26
Rot. Bonds2

About 3-(2,5-dimethylpiperidin-1-yl)-5-fluorobenzaldehyde

3-(2,5-dimethylpiperidin-1-yl)-5-fluorobenzaldehyde (PubChem CID 106529309) has the molecular formula C14H18FNO and a molecular weight of 235.30 g/mol. Its IUPAC name is 3-(2,5-dimethylpiperidin-1-yl)-5-fluorobenzaldehyde.

Molecular Properties

Compound Name3-(2,5-dimethylpiperidin-1-yl)-5-fluorobenzaldehyde
PubChem CID106529309
Molecular FormulaC14H18FNO
Molecular Weight235.30 g/mol
Exact Mass235.14
IUPAC Name3-(2,5-dimethylpiperidin-1-yl)-5-fluorobenzaldehyde
SMILESCC1CCC(C)N(c2cc(F)cc(C=O)c2)C1
InChIInChI=1S/C14H18FNO/c1-10-3-4-11(2)16(8-10)14-6-12(9-17)5-13(15)7-14/h5-7,9-11H,3-4,8H2,1-2H3
InChIKeyGEHVCKAGXBTISQ-UHFFFAOYSA-N
XLogP3.26
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 53.26
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 3-(2,5-dimethylpiperidin-1-yl)-5-fluorobenzaldehyde?
The IUPAC name of 3-(2,5-dimethylpiperidin-1-yl)-5-fluorobenzaldehyde (CID 106529309) is 3-(2,5-dimethylpiperidin-1-yl)-5-fluorobenzaldehyde.
What is the SMILES notation for 3-(2,5-dimethylpiperidin-1-yl)-5-fluorobenzaldehyde?
The canonical SMILES for 3-(2,5-dimethylpiperidin-1-yl)-5-fluorobenzaldehyde is CC1CCC(C)N(c2cc(F)cc(C=O)c2)C1.
What is the InChIKey of 3-(2,5-dimethylpiperidin-1-yl)-5-fluorobenzaldehyde?
The InChIKey is GEHVCKAGXBTISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO/c1-10-3-4-11(2)16(8-10)14-6-12(9-17)5-13(15)7-14/h5-7,9-11H,3-4,8H2,1-2H3.
What are the key properties of 3-(2,5-dimethylpiperidin-1-yl)-5-fluorobenzaldehyde?
3-(2,5-dimethylpiperidin-1-yl)-5-fluorobenzaldehyde has a molecular weight of 235.30 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylpiperidin-1-yl)-5-fluorobenzaldehyde is sourced from PubChem (CID 106529309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).