1-tert-butyl-3-fluoropiperidine-4-carboxylic acid

C10H18FNO2 — CID 118284018

IUPAC1-tert-butyl-3-fluoropiperidine-4-carboxylic acid
SMILESCC(C)(C)N1CCC(C(=O)O)C(F)C1
InChIInChI=1S/C10H18FNO2/c1-10(2,3)12-5-4-7(9(13)14)8(11)6-12/h7-8H,4-6H2,1-3H3,(H,13,14)
InChIKeyBLLHDBIJNYUHKJ-UHFFFAOYSA-N
MW203.26 g/mol
LogP1.53
Rot. Bonds1

About 1-tert-butyl-3-fluoropiperidine-4-carboxylic acid

1-tert-butyl-3-fluoropiperidine-4-carboxylic acid (PubChem CID 118284018) has the molecular formula C10H18FNO2 and a molecular weight of 203.26 g/mol. Its IUPAC name is 1-tert-butyl-3-fluoropiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-tert-butyl-3-fluoropiperidine-4-carboxylic acid
PubChem CID118284018
Molecular FormulaC10H18FNO2
Molecular Weight203.26 g/mol
Exact Mass203.13
IUPAC Name1-tert-butyl-3-fluoropiperidine-4-carboxylic acid
SMILESCC(C)(C)N1CCC(C(=O)O)C(F)C1
InChIInChI=1S/C10H18FNO2/c1-10(2,3)12-5-4-7(9(13)14)8(11)6-12/h7-8H,4-6H2,1-3H3,(H,13,14)
InChIKeyBLLHDBIJNYUHKJ-UHFFFAOYSA-N
XLogP1.53
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
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

Analyze 1-tert-butyl-3-fluoropiperidine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Methylpiperidine-4-carboxylic acid
CID 2736939
4-Piperidinecarboxylic acid, 1-methyl-, hydrochloride (1:1)
CID 2760043
1-Isopropylpiperidine-4-Carboxylic Acid
CID 6484187
1-(3-Methylbutanoyl)-4-piperidinecarboxylic acid
CID 16769238
1-(2-Methylpropanoyl)piperidine-4-carboxylic acid
CID 16770959
1-(Cyclopropylmethyl)piperidine-4-carboxylic acid hydrochloride
CID 17221488
1-Propylpiperidine-4-carboxylic acid hydrochloride
CID 43810467
1-Ethylpiperidine-4-carboxylic acid hydrochloride
CID 45075030
1-(Propan-2-yl)piperidine-4-carboxylic acid hydrochloride
CID 45075031
1,4-Dimethylpiperidine-4-carboxylic acid hydrochloride
CID 45595338
1-Cyclopropylpiperidine-4-carboxylic acid hydrochloride
CID 53302045
1-Cyclobutylpiperidine-4-carboxylic acid
CID 53440464

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-fluoropiperidine-4-carboxylic acid?
The IUPAC name of 1-tert-butyl-3-fluoropiperidine-4-carboxylic acid (CID 118284018) is 1-tert-butyl-3-fluoropiperidine-4-carboxylic acid.
What is the SMILES notation for 1-tert-butyl-3-fluoropiperidine-4-carboxylic acid?
The canonical SMILES for 1-tert-butyl-3-fluoropiperidine-4-carboxylic acid is CC(C)(C)N1CCC(C(=O)O)C(F)C1.
What is the InChIKey of 1-tert-butyl-3-fluoropiperidine-4-carboxylic acid?
The InChIKey is BLLHDBIJNYUHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNO2/c1-10(2,3)12-5-4-7(9(13)14)8(11)6-12/h7-8H,4-6H2,1-3H3,(H,13,14).
What are the key properties of 1-tert-butyl-3-fluoropiperidine-4-carboxylic acid?
1-tert-butyl-3-fluoropiperidine-4-carboxylic acid has a molecular weight of 203.26 g/mol, XLogP of 1.53, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-fluoropiperidine-4-carboxylic acid is sourced from PubChem (CID 118284018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).