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

C10H18FNO2 — CID 175025963

IUPAC2-tert-butyl-3-fluoropiperidine-1-carboxylic acid
SMILESCC(C)(C)C1C(F)CCCN1C(=O)O
InChIInChI=1S/C10H18FNO2/c1-10(2,3)8-7(11)5-4-6-12(8)9(13)14/h7-8H,4-6H2,1-3H3,(H,13,14)
InChIKeyPWYRKPWCFYGHMZ-UHFFFAOYSA-N
MW203.26 g/mol
LogP2.51
Rot. Bonds

About 2-tert-butyl-3-fluoropiperidine-1-carboxylic acid

2-tert-butyl-3-fluoropiperidine-1-carboxylic acid (PubChem CID 175025963) has the molecular formula C10H18FNO2 and a molecular weight of 203.26 g/mol. Its IUPAC name is 2-tert-butyl-3-fluoropiperidine-1-carboxylic acid.

Molecular Properties

Compound Name2-tert-butyl-3-fluoropiperidine-1-carboxylic acid
PubChem CID175025963
Molecular FormulaC10H18FNO2
Molecular Weight203.26 g/mol
Exact Mass203.13
IUPAC Name2-tert-butyl-3-fluoropiperidine-1-carboxylic acid
SMILESCC(C)(C)C1C(F)CCCN1C(=O)O
InChIInChI=1S/C10H18FNO2/c1-10(2,3)8-7(11)5-4-6-12(8)9(13)14/h7-8H,4-6H2,1-3H3,(H,13,14)
InChIKeyPWYRKPWCFYGHMZ-UHFFFAOYSA-N
XLogP2.51
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.26
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-tert-butyl-3-fluoropiperidine-1-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

2-Tert-butyl-3-fluoro-4-oxopiperidine-1-carboxylic acid
CID 66790792
2-Tert-butyl-4-cyano-4-fluoropiperidine-1-carboxylic acid
CID 68428910
2-Tert-butyl-4-[4-(2-fluoroethyl)piperazin-1-yl]piperidine-1-carboxylic acid
CID 86644807
4-Amino-2-tert-butyl-3-fluoropiperidine-1-carboxylic acid
CID 117876721
(3S,4S)-4-azido-2-tert-butyl-3-fluoropiperidine-1-carboxylic acid
CID 121333753
3,4-Difluoro-2-methyl-8-azaspiro[4.5]decane-8-carboxylic acid
CID 124139106
4-Fluoro-2-methyl-8-azaspiro[4.5]decane-8-carboxylic acid
CID 124141923
2-Tert-butyl-3-fluoro-4,4-dihydroxypiperidine-1-carboxylic acid
CID 142750546
(2R,3S)-3-fluoro-2-methyl-8-azaspiro[4.5]decane-8-carboxylic acid
CID 146500878
2-Tert-butyl-2-fluoropiperidine-1-carboxylic acid
CID 149638788
4-Fluoro-8-azaspiro[4.5]decane-8-carboxylic acid
CID 152560175
(3S)-2-tert-butyl-3-fluoro-4-oxopiperidine-1-carboxylic acid
CID 156514321

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3-fluoropiperidine-1-carboxylic acid?
The IUPAC name of 2-tert-butyl-3-fluoropiperidine-1-carboxylic acid (CID 175025963) is 2-tert-butyl-3-fluoropiperidine-1-carboxylic acid.
What is the SMILES notation for 2-tert-butyl-3-fluoropiperidine-1-carboxylic acid?
The canonical SMILES for 2-tert-butyl-3-fluoropiperidine-1-carboxylic acid is CC(C)(C)C1C(F)CCCN1C(=O)O.
What is the InChIKey of 2-tert-butyl-3-fluoropiperidine-1-carboxylic acid?
The InChIKey is PWYRKPWCFYGHMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNO2/c1-10(2,3)8-7(11)5-4-6-12(8)9(13)14/h7-8H,4-6H2,1-3H3,(H,13,14).
What are the key properties of 2-tert-butyl-3-fluoropiperidine-1-carboxylic acid?
2-tert-butyl-3-fluoropiperidine-1-carboxylic acid has a molecular weight of 203.26 g/mol, XLogP of 2.51, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3-fluoropiperidine-1-carboxylic acid is sourced from PubChem (CID 175025963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).