4-fluoro-1-(1-methylpiperidin-4-yl)piperidine-4-carboxylic acid

C12H21FN2O2 — CID 115055582

IUPAC4-fluoro-1-(1-methylpiperidin-4-yl)piperidine-4-carboxylic acid
SMILESCN1CCC(N2CCC(F)(C(=O)O)CC2)CC1
InChIInChI=1S/C12H21FN2O2/c1-14-6-2-10(3-7-14)15-8-4-12(13,5-9-15)11(16)17/h10H,2-9H2,1H3,(H,16,17)
InChIKeyWVIBTMGGUIZBLM-UHFFFAOYSA-N
MW244.31 g/mol
LogP0.97
Rot. Bonds2

About 4-fluoro-1-(1-methylpiperidin-4-yl)piperidine-4-carboxylic acid

4-fluoro-1-(1-methylpiperidin-4-yl)piperidine-4-carboxylic acid (PubChem CID 115055582) has the molecular formula C12H21FN2O2 and a molecular weight of 244.31 g/mol. Its IUPAC name is 4-fluoro-1-(1-methylpiperidin-4-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-fluoro-1-(1-methylpiperidin-4-yl)piperidine-4-carboxylic acid
PubChem CID115055582
Molecular FormulaC12H21FN2O2
Molecular Weight244.31 g/mol
Exact Mass244.16
IUPAC Name4-fluoro-1-(1-methylpiperidin-4-yl)piperidine-4-carboxylic acid
SMILESCN1CCC(N2CCC(F)(C(=O)O)CC2)CC1
InChIInChI=1S/C12H21FN2O2/c1-14-6-2-10(3-7-14)15-8-4-12(13,5-9-15)11(16)17/h10H,2-9H2,1H3,(H,16,17)
InChIKeyWVIBTMGGUIZBLM-UHFFFAOYSA-N
XLogP0.97
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Isopropylpiperidine-4-Carboxylic Acid
CID 6484187
1'-Methyl(1,4'-bipiperidine)-4-carboxylic acid
CID 2761156
1-(1-Methylpiperidin-4-yl)piperidine-4-carboxylic acid dihydrochloride
CID 45075036
1-Cyclobutyl-4-fluoropiperidine-4-carboxylic acid
CID 59508336
1-Ethyl-4-fluoropiperidine-4-carboxylic acid
CID 90079652
1-Tert-butyl-4-fluoropiperidine-4-carboxylic acid
CID 115023039
4-Fluoro-1-(2-methylpropyl)piperidine-4-carboxylic acid
CID 115023040
1-Tert-butyl-3-fluoropiperidine-4-carboxylic acid
CID 118284018
1-[5-(3,3-Difluoropiperidin-1-yl)hexan-2-yl]piperidine-4-carboxylic acid
CID 130279107
Ethane;1-ethyl-3,3-difluoropiperidine;1-ethylpiperidine-4-carboxylic acid
CID 172365859
1-(3,3-Difluoropiperidin-4-yl)piperidine-4-carboxylic acid
CID 176180982
1-(3-Fluoropiperidin-4-yl)piperidine-4-carboxylic acid
CID 176181036

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-(1-methylpiperidin-4-yl)piperidine-4-carboxylic acid?
The IUPAC name of 4-fluoro-1-(1-methylpiperidin-4-yl)piperidine-4-carboxylic acid (CID 115055582) is 4-fluoro-1-(1-methylpiperidin-4-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-fluoro-1-(1-methylpiperidin-4-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-fluoro-1-(1-methylpiperidin-4-yl)piperidine-4-carboxylic acid is CN1CCC(N2CCC(F)(C(=O)O)CC2)CC1.
What is the InChIKey of 4-fluoro-1-(1-methylpiperidin-4-yl)piperidine-4-carboxylic acid?
The InChIKey is WVIBTMGGUIZBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21FN2O2/c1-14-6-2-10(3-7-14)15-8-4-12(13,5-9-15)11(16)17/h10H,2-9H2,1H3,(H,16,17).
What are the key properties of 4-fluoro-1-(1-methylpiperidin-4-yl)piperidine-4-carboxylic acid?
4-fluoro-1-(1-methylpiperidin-4-yl)piperidine-4-carboxylic acid has a molecular weight of 244.31 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-(1-methylpiperidin-4-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 115055582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).