4-(fluoromethyl)piperidine-1-carboxylic acid

C7H12FNO2 — CID 23110117

IUPAC4-(fluoromethyl)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(CF)CC1
InChIInChI=1S/C7H12FNO2/c8-5-6-1-3-9(4-2-6)7(10)11/h6H,1-5H2,(H,10,11)
InChIKeyHPZURHNQZDDPEY-UHFFFAOYSA-N
MW161.18 g/mol
LogP1.35
Rot. Bonds1

About 4-(fluoromethyl)piperidine-1-carboxylic acid

4-(fluoromethyl)piperidine-1-carboxylic acid (PubChem CID 23110117) has the molecular formula C7H12FNO2 and a molecular weight of 161.18 g/mol. Its IUPAC name is 4-(fluoromethyl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(fluoromethyl)piperidine-1-carboxylic acid
PubChem CID23110117
Molecular FormulaC7H12FNO2
Molecular Weight161.18 g/mol
Exact Mass161.09
IUPAC Name4-(fluoromethyl)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(CF)CC1
InChIInChI=1S/C7H12FNO2/c8-5-6-1-3-9(4-2-6)7(10)11/h6H,1-5H2,(H,10,11)
InChIKeyHPZURHNQZDDPEY-UHFFFAOYSA-N
XLogP1.35
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.18
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)piperidine-1-carboxylic acid?
The IUPAC name of 4-(fluoromethyl)piperidine-1-carboxylic acid (CID 23110117) is 4-(fluoromethyl)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(fluoromethyl)piperidine-1-carboxylic acid?
The canonical SMILES for 4-(fluoromethyl)piperidine-1-carboxylic acid is O=C(O)N1CCC(CF)CC1.
What is the InChIKey of 4-(fluoromethyl)piperidine-1-carboxylic acid?
The InChIKey is HPZURHNQZDDPEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNO2/c8-5-6-1-3-9(4-2-6)7(10)11/h6H,1-5H2,(H,10,11).
What are the key properties of 4-(fluoromethyl)piperidine-1-carboxylic acid?
4-(fluoromethyl)piperidine-1-carboxylic acid has a molecular weight of 161.18 g/mol, XLogP of 1.35, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)piperidine-1-carboxylic acid is sourced from PubChem (CID 23110117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).