1-(2-fluoroethyl)-4-methylpiperidine-4-carboxylic acid

C9H16FNO2 — CID 80694130

IUPAC1-(2-fluoroethyl)-4-methylpiperidine-4-carboxylic acid
SMILESCC1(C(=O)O)CCN(CCF)CC1
InChIInChI=1S/C9H16FNO2/c1-9(8(12)13)2-5-11(6-3-9)7-4-10/h2-7H2,1H3,(H,12,13)
InChIKeyYUGGFGKVQSMDQC-UHFFFAOYSA-N
MW189.23 g/mol
LogP1.14
Rot. Bonds3

About 1-(2-fluoroethyl)-4-methylpiperidine-4-carboxylic acid

1-(2-fluoroethyl)-4-methylpiperidine-4-carboxylic acid (PubChem CID 80694130) has the molecular formula C9H16FNO2 and a molecular weight of 189.23 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-4-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-fluoroethyl)-4-methylpiperidine-4-carboxylic acid
PubChem CID80694130
Molecular FormulaC9H16FNO2
Molecular Weight189.23 g/mol
Exact Mass189.12
IUPAC Name1-(2-fluoroethyl)-4-methylpiperidine-4-carboxylic acid
SMILESCC1(C(=O)O)CCN(CCF)CC1
InChIInChI=1S/C9H16FNO2/c1-9(8(12)13)2-5-11(6-3-9)7-4-10/h2-7H2,1H3,(H,12,13)
InChIKeyYUGGFGKVQSMDQC-UHFFFAOYSA-N
XLogP1.14
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.23
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Methylpiperidine-4-carboxylic acid
CID 2736939
1-Isopropylpiperidine-4-Carboxylic Acid
CID 6484187
1-Acetyl-4-methylpiperidine-4-carboxylic acid
CID 19361808
1-Propylpiperidine-4-carboxylic acid hydrochloride
CID 43810467
1-Ethylpiperidine-4-carboxylic acid hydrochloride
CID 45075030
1-(Propan-2-yl)piperidine-4-carboxylic acid hydrochloride
CID 45075031
1,4-Dimethylpiperidine-4-carboxylic acid hydrochloride
CID 45595338
1-(2,2-Difluoroethyl)piperidine-4-carboxylic acid hydrochloride
CID 91647610
1-(2,2,2-Trifluoroethyl)piperidine-4-carboxylic acid hydrochloride
CID 91663079
4-Fluoro-1-methylpiperidine-4-carboxylic acid hydrochloride
CID 91667882
1-(2-Fluoroethyl)piperidine-4-carboxylic acid hydrochloride
CID 165997509
4-Carboxy-1,1-Dimethylpiperidin-1-Ium
CID 71385008

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-4-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(2-fluoroethyl)-4-methylpiperidine-4-carboxylic acid (CID 80694130) is 1-(2-fluoroethyl)-4-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(2-fluoroethyl)-4-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(2-fluoroethyl)-4-methylpiperidine-4-carboxylic acid is CC1(C(=O)O)CCN(CCF)CC1.
What is the InChIKey of 1-(2-fluoroethyl)-4-methylpiperidine-4-carboxylic acid?
The InChIKey is YUGGFGKVQSMDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO2/c1-9(8(12)13)2-5-11(6-3-9)7-4-10/h2-7H2,1H3,(H,12,13).
What are the key properties of 1-(2-fluoroethyl)-4-methylpiperidine-4-carboxylic acid?
1-(2-fluoroethyl)-4-methylpiperidine-4-carboxylic acid has a molecular weight of 189.23 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-4-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 80694130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).