1-(3-fluorocyclohexanecarbonyl)-3-methylpiperidine-4-carboxylic acid

C14H22FNO3 — CID 122129406

IUPAC1-(3-fluorocyclohexanecarbonyl)-3-methylpiperidine-4-carboxylic acid
SMILESCC1CN(C(=O)C2CCCC(F)C2)CCC1C(=O)O
InChIInChI=1S/C14H22FNO3/c1-9-8-16(6-5-12(9)14(18)19)13(17)10-3-2-4-11(15)7-10/h9-12H,2-8H2,1H3,(H,18,19)
InChIKeyOSGMBWSPSSXMGU-UHFFFAOYSA-N
MW271.33 g/mol
LogP2.08
Rot. Bonds2

About 1-(3-fluorocyclohexanecarbonyl)-3-methylpiperidine-4-carboxylic acid

1-(3-fluorocyclohexanecarbonyl)-3-methylpiperidine-4-carboxylic acid (PubChem CID 122129406) has the molecular formula C14H22FNO3 and a molecular weight of 271.33 g/mol. Its IUPAC name is 1-(3-fluorocyclohexanecarbonyl)-3-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(3-fluorocyclohexanecarbonyl)-3-methylpiperidine-4-carboxylic acid
PubChem CID122129406
Molecular FormulaC14H22FNO3
Molecular Weight271.33 g/mol
Exact Mass271.16
IUPAC Name1-(3-fluorocyclohexanecarbonyl)-3-methylpiperidine-4-carboxylic acid
SMILESCC1CN(C(=O)C2CCCC(F)C2)CCC1C(=O)O
InChIInChI=1S/C14H22FNO3/c1-9-8-16(6-5-12(9)14(18)19)13(17)10-3-2-4-11(15)7-10/h9-12H,2-8H2,1H3,(H,18,19)
InChIKeyOSGMBWSPSSXMGU-UHFFFAOYSA-N
XLogP2.08
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.33
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,4S)-1-(3-fluorocyclohexanecarbonyl)-4-methylpyrrolidine-3-carboxylic acid
CID 122126142
1-(cyclobutanecarbonyl)-4-methylpyrrolidine-3-carboxylic acid
CID 63721542
[(1S,3S)-3-fluorocyclohexyl]-(4-methylpiperazin-1-yl)methanone
CID 129349020
3-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 63790111
1-(3-aminocyclohexanecarbonyl)-4-methylpyrrolidine-3-carboxylic acid
CID 63721453
3-(3,4-dimethylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 103551239
1-(bicyclo[3.1.0]hexane-3-carbonyl)piperidine-3,4-dicarboxylic acid
CID 115918202
(4-amino-3-methylpiperidin-1-yl)-cyclobutylmethanone
CID 79867706
cis-(1R,3S)-3-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 139534269
1-(2-methylcyclopentanecarbonyl)piperidine-3-carboxylic acid
CID 107175062
3-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 112627138
cis-(1S,3R)-3-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]cyclohexane-1-carboxylic acid
CID 124552883

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorocyclohexanecarbonyl)-3-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(3-fluorocyclohexanecarbonyl)-3-methylpiperidine-4-carboxylic acid (CID 122129406) is 1-(3-fluorocyclohexanecarbonyl)-3-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(3-fluorocyclohexanecarbonyl)-3-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(3-fluorocyclohexanecarbonyl)-3-methylpiperidine-4-carboxylic acid is CC1CN(C(=O)C2CCCC(F)C2)CCC1C(=O)O.
What is the InChIKey of 1-(3-fluorocyclohexanecarbonyl)-3-methylpiperidine-4-carboxylic acid?
The InChIKey is OSGMBWSPSSXMGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO3/c1-9-8-16(6-5-12(9)14(18)19)13(17)10-3-2-4-11(15)7-10/h9-12H,2-8H2,1H3,(H,18,19).
What are the key properties of 1-(3-fluorocyclohexanecarbonyl)-3-methylpiperidine-4-carboxylic acid?
1-(3-fluorocyclohexanecarbonyl)-3-methylpiperidine-4-carboxylic acid has a molecular weight of 271.33 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorocyclohexanecarbonyl)-3-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 122129406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).