4-fluoro-2-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid

C11H18FNO4 — CID 162523043

IUPAC4-fluoro-2-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
SMILESCC(C)(C)OC(=O)C1CC(F)(C(=O)O)CCN1
InChIInChI=1S/C11H18FNO4/c1-10(2,3)17-8(14)7-6-11(12,9(15)16)4-5-13-7/h7,13H,4-6H2,1-3H3,(H,15,16)
InChIKeySHMCMKWDEVHMQN-UHFFFAOYSA-N
MW247.27 g/mol
LogP0.87
Rot. Bonds2

About 4-fluoro-2-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid

4-fluoro-2-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid (PubChem CID 162523043) has the molecular formula C11H18FNO4 and a molecular weight of 247.27 g/mol. Its IUPAC name is 4-fluoro-2-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-fluoro-2-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
PubChem CID162523043
Molecular FormulaC11H18FNO4
Molecular Weight247.27 g/mol
Exact Mass247.12
IUPAC Name4-fluoro-2-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
SMILESCC(C)(C)OC(=O)C1CC(F)(C(=O)O)CCN1
InChIInChI=1S/C11H18FNO4/c1-10(2,3)17-8(14)7-6-11(12,9(15)16)4-5-13-7/h7,13H,4-6H2,1-3H3,(H,15,16)
InChIKeySHMCMKWDEVHMQN-UHFFFAOYSA-N
XLogP0.87
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-Fluoropropoxymethyl)piperidine-2-carboxylic acid
CID 18446264
cis-4-Methoxycarbonyl-2-piperidinecarboxylic acid
CID 13353754
tert-butyl (2R,4S)-4-(hydroxymethyl)piperidine-2-carboxylate
CID 135057141
(2S)-5-[(2-methylpropan-2-yl)oxy]-5-oxo-2-[[(2S,3R)-1,1,1-trifluoro-3-methyl-5-oxohexan-2-yl]amino]pentanoic acid
CID 159932311
4-Methoxycarbonylpiperidine-2-carboxylic acid
CID 13353753
2,4-Dimethyl piperidine-2,4-dicarboxylate
CID 13413091
cis-Dimethyl piperidine-2,4-dicarboxylate
CID 13413092
4-(Propoxymethyl)piperidine-2-carboxylic acid
CID 18446281
Ethyl 4-(hydroxymethyl)-piperidine-2-carboxylate
CID 19757810
2,4-Diethyl piperidine-2,4-dicarboxylate
CID 21186556
Tert-butyl 4-(hydroxymethyl)piperidine-2-carboxylate
CID 53410986
(2R,4R)-piperidine-2,4-dicarboxylic acid 2-tert-butyl ester 4-methyl ester
CID 54437399

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid?
The IUPAC name of 4-fluoro-2-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid (CID 162523043) is 4-fluoro-2-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 4-fluoro-2-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid?
The canonical SMILES for 4-fluoro-2-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid is CC(C)(C)OC(=O)C1CC(F)(C(=O)O)CCN1.
What is the InChIKey of 4-fluoro-2-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid?
The InChIKey is SHMCMKWDEVHMQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FNO4/c1-10(2,3)17-8(14)7-6-11(12,9(15)16)4-5-13-7/h7,13H,4-6H2,1-3H3,(H,15,16).
What are the key properties of 4-fluoro-2-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid?
4-fluoro-2-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid has a molecular weight of 247.27 g/mol, XLogP of 0.87, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 162523043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).