4-fluoro-1-(2-methylpropyl)piperidine-4-carboxylic acid

C10H18FNO2 — CID 115023040

IUPAC4-fluoro-1-(2-methylpropyl)piperidine-4-carboxylic acid
SMILESCC(C)CN1CCC(F)(C(=O)O)CC1
InChIInChI=1S/C10H18FNO2/c1-8(2)7-12-5-3-10(11,4-6-12)9(13)14/h8H,3-7H2,1-2H3,(H,13,14)
InChIKeyOGJAHPPKNNMKSB-UHFFFAOYSA-N
MW203.26 g/mol
LogP1.53
Rot. Bonds3

About 4-fluoro-1-(2-methylpropyl)piperidine-4-carboxylic acid

4-fluoro-1-(2-methylpropyl)piperidine-4-carboxylic acid (PubChem CID 115023040) has the molecular formula C10H18FNO2 and a molecular weight of 203.26 g/mol. Its IUPAC name is 4-fluoro-1-(2-methylpropyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-fluoro-1-(2-methylpropyl)piperidine-4-carboxylic acid
PubChem CID115023040
Molecular FormulaC10H18FNO2
Molecular Weight203.26 g/mol
Exact Mass203.13
IUPAC Name4-fluoro-1-(2-methylpropyl)piperidine-4-carboxylic acid
SMILESCC(C)CN1CCC(F)(C(=O)O)CC1
InChIInChI=1S/C10H18FNO2/c1-8(2)7-12-5-3-10(11,4-6-12)9(13)14/h8H,3-7H2,1-2H3,(H,13,14)
InChIKeyOGJAHPPKNNMKSB-UHFFFAOYSA-N
XLogP1.53
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.26
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-(2-methylpropyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-fluoro-1-(2-methylpropyl)piperidine-4-carboxylic acid (CID 115023040) is 4-fluoro-1-(2-methylpropyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-fluoro-1-(2-methylpropyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-fluoro-1-(2-methylpropyl)piperidine-4-carboxylic acid is CC(C)CN1CCC(F)(C(=O)O)CC1.
What is the InChIKey of 4-fluoro-1-(2-methylpropyl)piperidine-4-carboxylic acid?
The InChIKey is OGJAHPPKNNMKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNO2/c1-8(2)7-12-5-3-10(11,4-6-12)9(13)14/h8H,3-7H2,1-2H3,(H,13,14).
What are the key properties of 4-fluoro-1-(2-methylpropyl)piperidine-4-carboxylic acid?
4-fluoro-1-(2-methylpropyl)piperidine-4-carboxylic acid has a molecular weight of 203.26 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-(2-methylpropyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 115023040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).