3-(3-aminopropyl)-3-fluoropiperidine-1-carboxylic acid

C9H17FN2O2 — CID 126721255

IUPAC3-(3-aminopropyl)-3-fluoropiperidine-1-carboxylic acid
SMILESNCCCC1(F)CCCN(C(=O)O)C1
InChIInChI=1S/C9H17FN2O2/c10-9(3-1-5-11)4-2-6-12(7-9)8(13)14/h1-7,11H2,(H,13,14)
InChIKeyIAEQCZSGAZRQNC-UHFFFAOYSA-N
MW204.24 g/mol
LogP1.21
Rot. Bonds3

About 3-(3-aminopropyl)-3-fluoropiperidine-1-carboxylic acid

3-(3-aminopropyl)-3-fluoropiperidine-1-carboxylic acid (PubChem CID 126721255) has the molecular formula C9H17FN2O2 and a molecular weight of 204.24 g/mol. Its IUPAC name is 3-(3-aminopropyl)-3-fluoropiperidine-1-carboxylic acid.

Molecular Properties

Compound Name3-(3-aminopropyl)-3-fluoropiperidine-1-carboxylic acid
PubChem CID126721255
Molecular FormulaC9H17FN2O2
Molecular Weight204.24 g/mol
Exact Mass204.13
IUPAC Name3-(3-aminopropyl)-3-fluoropiperidine-1-carboxylic acid
SMILESNCCCC1(F)CCCN(C(=O)O)C1
InChIInChI=1S/C9H17FN2O2/c10-9(3-1-5-11)4-2-6-12(7-9)8(13)14/h1-7,11H2,(H,13,14)
InChIKeyIAEQCZSGAZRQNC-UHFFFAOYSA-N
XLogP1.21
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.24
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(3-aminopropyl)-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

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminopropyl)-3-fluoropiperidine-1-carboxylic acid?
The IUPAC name of 3-(3-aminopropyl)-3-fluoropiperidine-1-carboxylic acid (CID 126721255) is 3-(3-aminopropyl)-3-fluoropiperidine-1-carboxylic acid.
What is the SMILES notation for 3-(3-aminopropyl)-3-fluoropiperidine-1-carboxylic acid?
The canonical SMILES for 3-(3-aminopropyl)-3-fluoropiperidine-1-carboxylic acid is NCCCC1(F)CCCN(C(=O)O)C1.
What is the InChIKey of 3-(3-aminopropyl)-3-fluoropiperidine-1-carboxylic acid?
The InChIKey is IAEQCZSGAZRQNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FN2O2/c10-9(3-1-5-11)4-2-6-12(7-9)8(13)14/h1-7,11H2,(H,13,14).
What are the key properties of 3-(3-aminopropyl)-3-fluoropiperidine-1-carboxylic acid?
3-(3-aminopropyl)-3-fluoropiperidine-1-carboxylic acid has a molecular weight of 204.24 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminopropyl)-3-fluoropiperidine-1-carboxylic acid is sourced from PubChem (CID 126721255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).