4-(4-fluorobenzoyl)-4-methylpiperidine-1-carboxylic acid

C14H16FNO3 — CID 69121595

IUPAC4-(4-fluorobenzoyl)-4-methylpiperidine-1-carboxylic acid
SMILESCC1(C(=O)c2ccc(F)cc2)CCN(C(=O)O)CC1
InChIInChI=1S/C14H16FNO3/c1-14(6-8-16(9-7-14)13(18)19)12(17)10-2-4-11(15)5-3-10/h2-5H,6-9H2,1H3,(H,18,19)
InChIKeyNRILBEMQMHFVGG-UHFFFAOYSA-N
MW265.28 g/mol
LogP2.79
Rot. Bonds2

About 4-(4-fluorobenzoyl)-4-methylpiperidine-1-carboxylic acid

4-(4-fluorobenzoyl)-4-methylpiperidine-1-carboxylic acid (PubChem CID 69121595) has the molecular formula C14H16FNO3 and a molecular weight of 265.28 g/mol. Its IUPAC name is 4-(4-fluorobenzoyl)-4-methylpiperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(4-fluorobenzoyl)-4-methylpiperidine-1-carboxylic acid
PubChem CID69121595
Molecular FormulaC14H16FNO3
Molecular Weight265.28 g/mol
Exact Mass265.11
IUPAC Name4-(4-fluorobenzoyl)-4-methylpiperidine-1-carboxylic acid
SMILESCC1(C(=O)c2ccc(F)cc2)CCN(C(=O)O)CC1
InChIInChI=1S/C14H16FNO3/c1-14(6-8-16(9-7-14)13(18)19)12(17)10-2-4-11(15)5-3-10/h2-5H,6-9H2,1H3,(H,18,19)
InChIKeyNRILBEMQMHFVGG-UHFFFAOYSA-N
XLogP2.79
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-fluorophenyl)-(3-methylpyrrolidin-3-yl)methanone
CID 116569947
(4-fluorophenyl)-(4-methylpiperidin-4-yl)methanone;2,2,2-trifluoroacetic acid
CID 86614571
1-(4-fluorobenzoyl)-4-methylpiperidine-4-carbothioamide
CID 107161015
4-(4-fluorobenzoyl)-1,4-diazepane-1-carboxylic acid
CID 67493364
4-(4-fluorophenyl)-4-hydroxy-3,3-dimethylpiperidine-1-carboxylic acid
CID 67299829
1-[3-(4-fluorophenyl)propanoyl]-4-methylpiperidine-4-carboxylic acid
CID 63123576
1-[2-(4-fluorophenyl)acetyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63143059
[3-ethyl-1-(4-fluorobenzoyl)pyrrolidin-3-yl]-(4-fluorophenyl)methanone
CID 11336840
1-(4-fluoro-3-methylbenzoyl)-4-methylpiperidine-4-carboxylic acid
CID 63209441
(4-fluorophenyl)-[1-(hydroxymethyl)cyclopropyl]methanone
CID 116921067
[(1R,2R)-1,2-diamino-2-(4-fluorobenzoyl)cyclohexyl]-(4-fluorophenyl)methanone
CID 175763993
4-(aminomethyl)-4-[(4-fluorophenyl)methyl]piperidine-1-carboxylic acid
CID 91084745

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorobenzoyl)-4-methylpiperidine-1-carboxylic acid?
The IUPAC name of 4-(4-fluorobenzoyl)-4-methylpiperidine-1-carboxylic acid (CID 69121595) is 4-(4-fluorobenzoyl)-4-methylpiperidine-1-carboxylic acid.
What is the SMILES notation for 4-(4-fluorobenzoyl)-4-methylpiperidine-1-carboxylic acid?
The canonical SMILES for 4-(4-fluorobenzoyl)-4-methylpiperidine-1-carboxylic acid is CC1(C(=O)c2ccc(F)cc2)CCN(C(=O)O)CC1.
What is the InChIKey of 4-(4-fluorobenzoyl)-4-methylpiperidine-1-carboxylic acid?
The InChIKey is NRILBEMQMHFVGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO3/c1-14(6-8-16(9-7-14)13(18)19)12(17)10-2-4-11(15)5-3-10/h2-5H,6-9H2,1H3,(H,18,19).
What are the key properties of 4-(4-fluorobenzoyl)-4-methylpiperidine-1-carboxylic acid?
4-(4-fluorobenzoyl)-4-methylpiperidine-1-carboxylic acid has a molecular weight of 265.28 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorobenzoyl)-4-methylpiperidine-1-carboxylic acid is sourced from PubChem (CID 69121595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).