2-fluoro-6-(3-methoxy-4-methylpiperidin-1-yl)benzaldehyde

C14H18FNO2 — CID 114065164

IUPAC2-fluoro-6-(3-methoxy-4-methylpiperidin-1-yl)benzaldehyde
SMILESCOC1CN(c2cccc(F)c2C=O)CCC1C
InChIInChI=1S/C14H18FNO2/c1-10-6-7-16(8-14(10)18-2)13-5-3-4-12(15)11(13)9-17/h3-5,9-10,14H,6-8H2,1-2H3
InChIKeySNTSDDIAOISCPU-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.50
Rot. Bonds3

About 2-fluoro-6-(3-methoxy-4-methylpiperidin-1-yl)benzaldehyde

2-fluoro-6-(3-methoxy-4-methylpiperidin-1-yl)benzaldehyde (PubChem CID 114065164) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is 2-fluoro-6-(3-methoxy-4-methylpiperidin-1-yl)benzaldehyde.

Molecular Properties

Compound Name2-fluoro-6-(3-methoxy-4-methylpiperidin-1-yl)benzaldehyde
PubChem CID114065164
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name2-fluoro-6-(3-methoxy-4-methylpiperidin-1-yl)benzaldehyde
SMILESCOC1CN(c2cccc(F)c2C=O)CCC1C
InChIInChI=1S/C14H18FNO2/c1-10-6-7-16(8-14(10)18-2)13-5-3-4-12(15)11(13)9-17/h3-5,9-10,14H,6-8H2,1-2H3
InChIKeySNTSDDIAOISCPU-UHFFFAOYSA-N
XLogP2.50
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-chloro-4-(3-methoxy-4-methylpiperidin-1-yl)benzaldehyde
CID 102959181
2-(3-methoxy-4-methylpiperidin-1-yl)-6-methylsulfanylbenzonitrile
CID 102957735
2-chloro-6-(3,4-dimethoxypyrrolidin-1-yl)benzaldehyde
CID 103535007
5-fluoro-4-methoxy-2-(3-methoxy-4-methylpiperidin-1-yl)aniline
CID 102955599
N-[[3-fluoro-4-(3-methoxy-4-methylpiperidin-1-yl)phenyl]methyl]ethanamine
CID 102961339
2-bromo-3-fluoro-4-(3-methoxy-4-methylpiperidin-1-yl)benzoic acid
CID 107540548
N'-hydroxy-2-(3-methoxy-4-methylpiperidin-1-yl)-6-methylsulfanylbenzenecarboximidamide
CID 102958261
2-(3-methoxy-4-methylpiperidin-1-yl)-6-propoxyaniline
CID 102955625
1-[2-methoxy-6-(3-methoxy-4-methylpiperidin-1-yl)phenyl]-N-methylethanamine
CID 102958964
1-[2-(3-methoxy-4-methylpiperidin-1-yl)phenyl]propan-1-ol
CID 102959935
1-[2-(3-methoxy-4-methylpiperidin-1-yl)phenyl]propan-1-amine
CID 102959014
2-bromo-3-fluoro-4-(3-methoxy-4-methylpiperidin-1-yl)benzenecarbothioamide
CID 107535472

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-(3-methoxy-4-methylpiperidin-1-yl)benzaldehyde?
The IUPAC name of 2-fluoro-6-(3-methoxy-4-methylpiperidin-1-yl)benzaldehyde (CID 114065164) is 2-fluoro-6-(3-methoxy-4-methylpiperidin-1-yl)benzaldehyde.
What is the SMILES notation for 2-fluoro-6-(3-methoxy-4-methylpiperidin-1-yl)benzaldehyde?
The canonical SMILES for 2-fluoro-6-(3-methoxy-4-methylpiperidin-1-yl)benzaldehyde is COC1CN(c2cccc(F)c2C=O)CCC1C.
What is the InChIKey of 2-fluoro-6-(3-methoxy-4-methylpiperidin-1-yl)benzaldehyde?
The InChIKey is SNTSDDIAOISCPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-10-6-7-16(8-14(10)18-2)13-5-3-4-12(15)11(13)9-17/h3-5,9-10,14H,6-8H2,1-2H3.
What are the key properties of 2-fluoro-6-(3-methoxy-4-methylpiperidin-1-yl)benzaldehyde?
2-fluoro-6-(3-methoxy-4-methylpiperidin-1-yl)benzaldehyde has a molecular weight of 251.30 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(3-methoxy-4-methylpiperidin-1-yl)benzaldehyde is sourced from PubChem (CID 114065164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).