4-[3-(3-fluoropropoxy)propyl]piperidine-2-carboxylic acid

C12H22FNO3 — CID 18446260

IUPAC4-[3-(3-fluoropropoxy)propyl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CC(CCCOCCCF)CCN1
InChIInChI=1S/C12H22FNO3/c13-5-2-8-17-7-1-3-10-4-6-14-11(9-10)12(15)16/h10-11,14H,1-9H2,(H,15,16)
InChIKeyWNCIAWJZKCEQMZ-UHFFFAOYSA-N
MW247.31 g/mol
LogP1.60
Rot. Bonds8

About 4-[3-(3-fluoropropoxy)propyl]piperidine-2-carboxylic acid

4-[3-(3-fluoropropoxy)propyl]piperidine-2-carboxylic acid (PubChem CID 18446260) has the molecular formula C12H22FNO3 and a molecular weight of 247.31 g/mol. Its IUPAC name is 4-[3-(3-fluoropropoxy)propyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name4-[3-(3-fluoropropoxy)propyl]piperidine-2-carboxylic acid
PubChem CID18446260
Molecular FormulaC12H22FNO3
Molecular Weight247.31 g/mol
Exact Mass247.16
IUPAC Name4-[3-(3-fluoropropoxy)propyl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CC(CCCOCCCF)CCN1
InChIInChI=1S/C12H22FNO3/c13-5-2-8-17-7-1-3-10-4-6-14-11(9-10)12(15)16/h10-11,14H,1-9H2,(H,15,16)
InChIKeyWNCIAWJZKCEQMZ-UHFFFAOYSA-N
XLogP1.60
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.31
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-{[(2S)-4-cyclohexyl-1-ethoxy-1-oxobutan-2-yl]amino}propanoic acid
CID 21037721
(2S,4R)-4-undecylpiperidine-2-carboxylic acid
CID 155525055
Ethyl 4-methylpiperidine-2-carboxylate
CID 15697772
Ethyl (2S,4S)-4-Methylpipecolate
CID 15697773
rac-(2R,5R)-5-(2-methylpropyl)piperidine-2-carboxylic acid
CID 145912997
LY 221501
CID 132726
Ethyl (2R,4R)-4-methyl-2-piperidinecarboxylate
CID 10313307
rel-Ethyl (2R,4S)-4-methyl-2-piperidinecarboxylate
CID 15697774
Dimethyl 4-(hydroxymethyl)piperidine-2,6-dicarboxylate
CID 91293083
Dimethyl cis-4-hydroxymethylpiperidine-2,6-dicarboxylate
CID 91294991
4-[3-(2-Fluoroethoxy)propyl]piperidine-2-carboxylic acid
CID 18446259
4-(3-Fluoropropoxymethyl)piperidine-2-carboxylic acid
CID 18446264

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-fluoropropoxy)propyl]piperidine-2-carboxylic acid?
The IUPAC name of 4-[3-(3-fluoropropoxy)propyl]piperidine-2-carboxylic acid (CID 18446260) is 4-[3-(3-fluoropropoxy)propyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 4-[3-(3-fluoropropoxy)propyl]piperidine-2-carboxylic acid?
The canonical SMILES for 4-[3-(3-fluoropropoxy)propyl]piperidine-2-carboxylic acid is O=C(O)C1CC(CCCOCCCF)CCN1.
What is the InChIKey of 4-[3-(3-fluoropropoxy)propyl]piperidine-2-carboxylic acid?
The InChIKey is WNCIAWJZKCEQMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22FNO3/c13-5-2-8-17-7-1-3-10-4-6-14-11(9-10)12(15)16/h10-11,14H,1-9H2,(H,15,16).
What are the key properties of 4-[3-(3-fluoropropoxy)propyl]piperidine-2-carboxylic acid?
4-[3-(3-fluoropropoxy)propyl]piperidine-2-carboxylic acid has a molecular weight of 247.31 g/mol, XLogP of 1.60, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-fluoropropoxy)propyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 18446260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).