2-(4-fluoropiperidin-1-yl)-2-methylpropanal

C9H16FNO — CID 164659331

IUPAC2-(4-fluoropiperidin-1-yl)-2-methylpropanal
SMILESCC(C)(C=O)N1CCC(F)CC1
InChIInChI=1S/C9H16FNO/c1-9(2,7-12)11-5-3-8(10)4-6-11/h7-8H,3-6H2,1-2H3
InChIKeyTZMDSWWWAFNFLO-UHFFFAOYSA-N
MW173.23 g/mol
LogP1.40
Rot. Bonds2

About 2-(4-fluoropiperidin-1-yl)-2-methylpropanal

2-(4-fluoropiperidin-1-yl)-2-methylpropanal (PubChem CID 164659331) has the molecular formula C9H16FNO and a molecular weight of 173.23 g/mol. Its IUPAC name is 2-(4-fluoropiperidin-1-yl)-2-methylpropanal.

Molecular Properties

Compound Name2-(4-fluoropiperidin-1-yl)-2-methylpropanal
PubChem CID164659331
Molecular FormulaC9H16FNO
Molecular Weight173.23 g/mol
Exact Mass173.12
IUPAC Name2-(4-fluoropiperidin-1-yl)-2-methylpropanal
SMILESCC(C)(C=O)N1CCC(F)CC1
InChIInChI=1S/C9H16FNO/c1-9(2,7-12)11-5-3-8(10)4-6-11/h7-8H,3-6H2,1-2H3
InChIKeyTZMDSWWWAFNFLO-UHFFFAOYSA-N
XLogP1.40
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.23
LogP ≤ 51.40
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-(4-fluoropiperidin-1-yl)-2-methylpropanal?
The IUPAC name of 2-(4-fluoropiperidin-1-yl)-2-methylpropanal (CID 164659331) is 2-(4-fluoropiperidin-1-yl)-2-methylpropanal.
What is the SMILES notation for 2-(4-fluoropiperidin-1-yl)-2-methylpropanal?
The canonical SMILES for 2-(4-fluoropiperidin-1-yl)-2-methylpropanal is CC(C)(C=O)N1CCC(F)CC1.
What is the InChIKey of 2-(4-fluoropiperidin-1-yl)-2-methylpropanal?
The InChIKey is TZMDSWWWAFNFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO/c1-9(2,7-12)11-5-3-8(10)4-6-11/h7-8H,3-6H2,1-2H3.
What are the key properties of 2-(4-fluoropiperidin-1-yl)-2-methylpropanal?
2-(4-fluoropiperidin-1-yl)-2-methylpropanal has a molecular weight of 173.23 g/mol, XLogP of 1.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoropiperidin-1-yl)-2-methylpropanal is sourced from PubChem (CID 164659331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).