4-fluoro-1-(2-methylpropyl)piperidine-4-carbaldehyde

C10H18FNO — CID 142584248

IUPAC4-fluoro-1-(2-methylpropyl)piperidine-4-carbaldehyde
SMILESCC(C)CN1CCC(F)(C=O)CC1
InChIInChI=1S/C10H18FNO/c1-9(2)7-12-5-3-10(11,8-13)4-6-12/h8-9H,3-7H2,1-2H3
InChIKeyKROFAOXNQJNCLY-UHFFFAOYSA-N
MW187.26 g/mol
LogP1.65
Rot. Bonds3

About 4-fluoro-1-(2-methylpropyl)piperidine-4-carbaldehyde

4-fluoro-1-(2-methylpropyl)piperidine-4-carbaldehyde (PubChem CID 142584248) has the molecular formula C10H18FNO and a molecular weight of 187.26 g/mol. Its IUPAC name is 4-fluoro-1-(2-methylpropyl)piperidine-4-carbaldehyde.

Molecular Properties

Compound Name4-fluoro-1-(2-methylpropyl)piperidine-4-carbaldehyde
PubChem CID142584248
Molecular FormulaC10H18FNO
Molecular Weight187.26 g/mol
Exact Mass187.14
IUPAC Name4-fluoro-1-(2-methylpropyl)piperidine-4-carbaldehyde
SMILESCC(C)CN1CCC(F)(C=O)CC1
InChIInChI=1S/C10H18FNO/c1-9(2)7-12-5-3-10(11,8-13)4-6-12/h8-9H,3-7H2,1-2H3
InChIKeyKROFAOXNQJNCLY-UHFFFAOYSA-N
XLogP1.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 51.65
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 4-fluoro-1-(2-methylpropyl)piperidine-4-carbaldehyde?
The IUPAC name of 4-fluoro-1-(2-methylpropyl)piperidine-4-carbaldehyde (CID 142584248) is 4-fluoro-1-(2-methylpropyl)piperidine-4-carbaldehyde.
What is the SMILES notation for 4-fluoro-1-(2-methylpropyl)piperidine-4-carbaldehyde?
The canonical SMILES for 4-fluoro-1-(2-methylpropyl)piperidine-4-carbaldehyde is CC(C)CN1CCC(F)(C=O)CC1.
What is the InChIKey of 4-fluoro-1-(2-methylpropyl)piperidine-4-carbaldehyde?
The InChIKey is KROFAOXNQJNCLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNO/c1-9(2)7-12-5-3-10(11,8-13)4-6-12/h8-9H,3-7H2,1-2H3.
What are the key properties of 4-fluoro-1-(2-methylpropyl)piperidine-4-carbaldehyde?
4-fluoro-1-(2-methylpropyl)piperidine-4-carbaldehyde has a molecular weight of 187.26 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-(2-methylpropyl)piperidine-4-carbaldehyde is sourced from PubChem (CID 142584248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).