4-(5-fluoropentyl)-2-methylpiperidine-2-carboxylic acid

C12H22FNO2 — CID 69472415

IUPAC4-(5-fluoropentyl)-2-methylpiperidine-2-carboxylic acid
SMILESCC1(C(=O)O)CC(CCCCCF)CCN1
InChIInChI=1S/C12H22FNO2/c1-12(11(15)16)9-10(6-8-14-12)5-3-2-4-7-13/h10,14H,2-9H2,1H3,(H,15,16)
InChIKeyWGQOMEFWPDXHHU-UHFFFAOYSA-N
MW231.31 g/mol
LogP2.36
Rot. Bonds6

About 4-(5-fluoropentyl)-2-methylpiperidine-2-carboxylic acid

4-(5-fluoropentyl)-2-methylpiperidine-2-carboxylic acid (PubChem CID 69472415) has the molecular formula C12H22FNO2 and a molecular weight of 231.31 g/mol. Its IUPAC name is 4-(5-fluoropentyl)-2-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name4-(5-fluoropentyl)-2-methylpiperidine-2-carboxylic acid
PubChem CID69472415
Molecular FormulaC12H22FNO2
Molecular Weight231.31 g/mol
Exact Mass231.16
IUPAC Name4-(5-fluoropentyl)-2-methylpiperidine-2-carboxylic acid
SMILESCC1(C(=O)O)CC(CCCCCF)CCN1
InChIInChI=1S/C12H22FNO2/c1-12(11(15)16)9-10(6-8-14-12)5-3-2-4-7-13/h10,14H,2-9H2,1H3,(H,15,16)
InChIKeyWGQOMEFWPDXHHU-UHFFFAOYSA-N
XLogP2.36
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.31
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoropentyl)-2-methylpiperidine-2-carboxylic acid?
The IUPAC name of 4-(5-fluoropentyl)-2-methylpiperidine-2-carboxylic acid (CID 69472415) is 4-(5-fluoropentyl)-2-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 4-(5-fluoropentyl)-2-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 4-(5-fluoropentyl)-2-methylpiperidine-2-carboxylic acid is CC1(C(=O)O)CC(CCCCCF)CCN1.
What is the InChIKey of 4-(5-fluoropentyl)-2-methylpiperidine-2-carboxylic acid?
The InChIKey is WGQOMEFWPDXHHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22FNO2/c1-12(11(15)16)9-10(6-8-14-12)5-3-2-4-7-13/h10,14H,2-9H2,1H3,(H,15,16).
What are the key properties of 4-(5-fluoropentyl)-2-methylpiperidine-2-carboxylic acid?
4-(5-fluoropentyl)-2-methylpiperidine-2-carboxylic acid has a molecular weight of 231.31 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoropentyl)-2-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 69472415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).