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

C9H16FNO2 — CID 56973594

IUPAC4-(2-fluoroethyl)-1-methylpiperidine-4-carboxylic acid
SMILESCN1CCC(CCF)(C(=O)O)CC1
InChIInChI=1S/C9H16FNO2/c1-11-6-3-9(2-5-10,4-7-11)8(12)13/h2-7H2,1H3,(H,12,13)
InChIKeyMDPSXISQHNFKEE-UHFFFAOYSA-N
MW189.23 g/mol
LogP1.14
Rot. Bonds3

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

4-(2-fluoroethyl)-1-methylpiperidine-4-carboxylic acid (PubChem CID 56973594) has the molecular formula C9H16FNO2 and a molecular weight of 189.23 g/mol. Its IUPAC name is 4-(2-fluoroethyl)-1-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-(2-fluoroethyl)-1-methylpiperidine-4-carboxylic acid
PubChem CID56973594
Molecular FormulaC9H16FNO2
Molecular Weight189.23 g/mol
Exact Mass189.12
IUPAC Name4-(2-fluoroethyl)-1-methylpiperidine-4-carboxylic acid
SMILESCN1CCC(CCF)(C(=O)O)CC1
InChIInChI=1S/C9H16FNO2/c1-11-6-3-9(2-5-10,4-7-11)8(12)13/h2-7H2,1H3,(H,12,13)
InChIKeyMDPSXISQHNFKEE-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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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoroethyl)-1-methylpiperidine-4-carboxylic acid?
The IUPAC name of 4-(2-fluoroethyl)-1-methylpiperidine-4-carboxylic acid (CID 56973594) is 4-(2-fluoroethyl)-1-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 4-(2-fluoroethyl)-1-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 4-(2-fluoroethyl)-1-methylpiperidine-4-carboxylic acid is CN1CCC(CCF)(C(=O)O)CC1.
What is the InChIKey of 4-(2-fluoroethyl)-1-methylpiperidine-4-carboxylic acid?
The InChIKey is MDPSXISQHNFKEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO2/c1-11-6-3-9(2-5-10,4-7-11)8(12)13/h2-7H2,1H3,(H,12,13).
What are the key properties of 4-(2-fluoroethyl)-1-methylpiperidine-4-carboxylic acid?
4-(2-fluoroethyl)-1-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 4-(2-fluoroethyl)-1-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 56973594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).