2-fluoro-2-(1-methylpiperidin-3-yl)acetaldehyde

C8H14FNO — CID 105431231

IUPAC2-fluoro-2-(1-methylpiperidin-3-yl)acetaldehyde
SMILESCN1CCCC(C(F)C=O)C1
InChIInChI=1S/C8H14FNO/c1-10-4-2-3-7(5-10)8(9)6-11/h6-8H,2-5H2,1H3
InChIKeyNUDCVLVYROTENF-UHFFFAOYSA-N
MW159.20 g/mol
LogP0.87
Rot. Bonds2

About 2-fluoro-2-(1-methylpiperidin-3-yl)acetaldehyde

2-fluoro-2-(1-methylpiperidin-3-yl)acetaldehyde (PubChem CID 105431231) has the molecular formula C8H14FNO and a molecular weight of 159.20 g/mol. Its IUPAC name is 2-fluoro-2-(1-methylpiperidin-3-yl)acetaldehyde.

Molecular Properties

Compound Name2-fluoro-2-(1-methylpiperidin-3-yl)acetaldehyde
PubChem CID105431231
Molecular FormulaC8H14FNO
Molecular Weight159.20 g/mol
Exact Mass159.11
IUPAC Name2-fluoro-2-(1-methylpiperidin-3-yl)acetaldehyde
SMILESCN1CCCC(C(F)C=O)C1
InChIInChI=1S/C8H14FNO/c1-10-4-2-3-7(5-10)8(9)6-11/h6-8H,2-5H2,1H3
InChIKeyNUDCVLVYROTENF-UHFFFAOYSA-N
XLogP0.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.20
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Methylpiperidine-4-carbaldehyde
CID 12535228
(1-Methylpiperidin-4-yl)acetaldehyde
CID 21666286
1-Ethylpiperidine-4-carbaldehyde
CID 20613249
1-(2-Methylpropyl)piperidine-4-carbaldehyde
CID 62655908
1-(2,2,2-Trifluoroethyl)piperidine-4-carbaldehyde
CID 62654280
1-(3,3,3-Trifluoropropyl)piperidine-4-carbaldehyde
CID 64566362
1-(2,2-Difluoropropyl)piperidine-4-carbaldehyde
CID 84663158
4-Fluoro-1-methylpiperidine-4-carbaldehyde
CID 117889591
4-Fluoro-1-(2-methylpropyl)piperidine-4-carbaldehyde
CID 142584248
2-(1-Fluoropiperidin-3-yl)acetaldehyde
CID 145353916
3-(1-Fluoropiperidin-4-yl)propanal
CID 145353941
2-Methyl-4-[4-(trifluoromethyl)piperidin-1-yl]butanal
CID 146588104

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(1-methylpiperidin-3-yl)acetaldehyde?
The IUPAC name of 2-fluoro-2-(1-methylpiperidin-3-yl)acetaldehyde (CID 105431231) is 2-fluoro-2-(1-methylpiperidin-3-yl)acetaldehyde.
What is the SMILES notation for 2-fluoro-2-(1-methylpiperidin-3-yl)acetaldehyde?
The canonical SMILES for 2-fluoro-2-(1-methylpiperidin-3-yl)acetaldehyde is CN1CCCC(C(F)C=O)C1.
What is the InChIKey of 2-fluoro-2-(1-methylpiperidin-3-yl)acetaldehyde?
The InChIKey is NUDCVLVYROTENF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNO/c1-10-4-2-3-7(5-10)8(9)6-11/h6-8H,2-5H2,1H3.
What are the key properties of 2-fluoro-2-(1-methylpiperidin-3-yl)acetaldehyde?
2-fluoro-2-(1-methylpiperidin-3-yl)acetaldehyde has a molecular weight of 159.20 g/mol, XLogP of 0.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(1-methylpiperidin-3-yl)acetaldehyde is sourced from PubChem (CID 105431231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).