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

C8H14FNO — CID 115012454

IUPAC2-(3-fluoro-3-methylpiperidin-1-yl)acetaldehyde
SMILESCC1(F)CCCN(CC=O)C1
InChIInChI=1S/C8H14FNO/c1-8(9)3-2-4-10(7-8)5-6-11/h6H,2-5,7H2,1H3
InChIKeyGNJWOBWCYMAXOP-UHFFFAOYSA-N
MW159.20 g/mol
LogP1.01
Rot. Bonds2

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

2-(3-fluoro-3-methylpiperidin-1-yl)acetaldehyde (PubChem CID 115012454) has the molecular formula C8H14FNO and a molecular weight of 159.20 g/mol. Its IUPAC name is 2-(3-fluoro-3-methylpiperidin-1-yl)acetaldehyde.

Molecular Properties

Compound Name2-(3-fluoro-3-methylpiperidin-1-yl)acetaldehyde
PubChem CID115012454
Molecular FormulaC8H14FNO
Molecular Weight159.20 g/mol
Exact Mass159.11
IUPAC Name2-(3-fluoro-3-methylpiperidin-1-yl)acetaldehyde
SMILESCC1(F)CCCN(CC=O)C1
InChIInChI=1S/C8H14FNO/c1-8(9)3-2-4-10(7-8)5-6-11/h6H,2-5,7H2,1H3
InChIKeyGNJWOBWCYMAXOP-UHFFFAOYSA-N
XLogP1.01
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 ≤ 51.01
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 2-(3-fluoro-3-methylpiperidin-1-yl)acetaldehyde?
The IUPAC name of 2-(3-fluoro-3-methylpiperidin-1-yl)acetaldehyde (CID 115012454) is 2-(3-fluoro-3-methylpiperidin-1-yl)acetaldehyde.
What is the SMILES notation for 2-(3-fluoro-3-methylpiperidin-1-yl)acetaldehyde?
The canonical SMILES for 2-(3-fluoro-3-methylpiperidin-1-yl)acetaldehyde is CC1(F)CCCN(CC=O)C1.
What is the InChIKey of 2-(3-fluoro-3-methylpiperidin-1-yl)acetaldehyde?
The InChIKey is GNJWOBWCYMAXOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNO/c1-8(9)3-2-4-10(7-8)5-6-11/h6H,2-5,7H2,1H3.
What are the key properties of 2-(3-fluoro-3-methylpiperidin-1-yl)acetaldehyde?
2-(3-fluoro-3-methylpiperidin-1-yl)acetaldehyde has a molecular weight of 159.20 g/mol, XLogP of 1.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-3-methylpiperidin-1-yl)acetaldehyde is sourced from PubChem (CID 115012454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).