1-fluoro-4-methylpiperidine-4-carbaldehyde

C7H12FNO — CID 141361502

IUPAC1-fluoro-4-methylpiperidine-4-carbaldehyde
SMILESCC1(C=O)CCN(F)CC1
InChIInChI=1S/C7H12FNO/c1-7(6-10)2-4-9(8)5-3-7/h6H,2-5H2,1H3
InChIKeyHPIMZKOAIPLWMQ-UHFFFAOYSA-N
MW145.18 g/mol
LogP1.17
Rot. Bonds1

About 1-fluoro-4-methylpiperidine-4-carbaldehyde

1-fluoro-4-methylpiperidine-4-carbaldehyde (PubChem CID 141361502) has the molecular formula C7H12FNO and a molecular weight of 145.18 g/mol. Its IUPAC name is 1-fluoro-4-methylpiperidine-4-carbaldehyde.

Molecular Properties

Compound Name1-fluoro-4-methylpiperidine-4-carbaldehyde
PubChem CID141361502
Molecular FormulaC7H12FNO
Molecular Weight145.18 g/mol
Exact Mass145.09
IUPAC Name1-fluoro-4-methylpiperidine-4-carbaldehyde
SMILESCC1(C=O)CCN(F)CC1
InChIInChI=1S/C7H12FNO/c1-7(6-10)2-4-9(8)5-3-7/h6H,2-5H2,1H3
InChIKeyHPIMZKOAIPLWMQ-UHFFFAOYSA-N
XLogP1.17
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.18
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Methylpiperidine-4-carbaldehyde
CID 12535228
1-(2,2-Dimethylpropyl)piperidine-4-carbaldehyde
CID 59337716
4-Fluoro-1-methylpiperidine-4-carbaldehyde
CID 117889591
1-Fluoropiperidine-4-carbaldehyde
CID 140440149
1-(3-Fluoropropyl)-4-methylpiperidine-4-carbaldehyde
CID 153386940
1-(2,2-Dimethylpropyl)-4-fluoropiperidine-4-carbaldehyde
CID 166702433
(3R,4S)-3-fluoro-1-methylpiperidine-4-carbaldehyde
CID 169685201
4-(Fluoromethyl)-1-methylpiperidine-4-carbaldehyde
CID 84764131
4-(Difluoromethyl)-1-methylpiperidine-4-carbaldehyde
CID 84767289
4-(2-Fluoropropan-2-yl)-1-methylpiperidine-4-carbaldehyde
CID 84770495
4-(1,1-Difluoroethyl)-1-methylpiperidine-4-carbaldehyde
CID 84771835
1-Ethyl-4-fluoropiperidine-4-carbaldehyde
CID 142583575

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-methylpiperidine-4-carbaldehyde?
The IUPAC name of 1-fluoro-4-methylpiperidine-4-carbaldehyde (CID 141361502) is 1-fluoro-4-methylpiperidine-4-carbaldehyde.
What is the SMILES notation for 1-fluoro-4-methylpiperidine-4-carbaldehyde?
The canonical SMILES for 1-fluoro-4-methylpiperidine-4-carbaldehyde is CC1(C=O)CCN(F)CC1.
What is the InChIKey of 1-fluoro-4-methylpiperidine-4-carbaldehyde?
The InChIKey is HPIMZKOAIPLWMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNO/c1-7(6-10)2-4-9(8)5-3-7/h6H,2-5H2,1H3.
What are the key properties of 1-fluoro-4-methylpiperidine-4-carbaldehyde?
1-fluoro-4-methylpiperidine-4-carbaldehyde has a molecular weight of 145.18 g/mol, XLogP of 1.17, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-methylpiperidine-4-carbaldehyde is sourced from PubChem (CID 141361502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).