2-[1-(2-fluoroethyl)piperidin-3-yl]acetic acid

C9H16FNO2 — CID 80695917

IUPAC2-[1-(2-fluoroethyl)piperidin-3-yl]acetic acid
SMILESO=C(O)CC1CCCN(CCF)C1
InChIInChI=1S/C9H16FNO2/c10-3-5-11-4-1-2-8(7-11)6-9(12)13/h8H,1-7H2,(H,12,13)
InChIKeyGRVSHZIFDDJWLM-UHFFFAOYSA-N
MW189.23 g/mol
LogP1.14
Rot. Bonds4

About 2-[1-(2-fluoroethyl)piperidin-3-yl]acetic acid

2-[1-(2-fluoroethyl)piperidin-3-yl]acetic acid (PubChem CID 80695917) has the molecular formula C9H16FNO2 and a molecular weight of 189.23 g/mol. Its IUPAC name is 2-[1-(2-fluoroethyl)piperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-fluoroethyl)piperidin-3-yl]acetic acid
PubChem CID80695917
Molecular FormulaC9H16FNO2
Molecular Weight189.23 g/mol
Exact Mass189.12
IUPAC Name2-[1-(2-fluoroethyl)piperidin-3-yl]acetic acid
SMILESO=C(O)CC1CCCN(CCF)C1
InChIInChI=1S/C9H16FNO2/c10-3-5-11-4-1-2-8(7-11)6-9(12)13/h8H,1-7H2,(H,12,13)
InChIKeyGRVSHZIFDDJWLM-UHFFFAOYSA-N
XLogP1.14
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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 2-[1-(2-fluoroethyl)piperidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(2-fluoroethyl)piperidin-3-yl]acetic acid (CID 80695917) is 2-[1-(2-fluoroethyl)piperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(2-fluoroethyl)piperidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(2-fluoroethyl)piperidin-3-yl]acetic acid is O=C(O)CC1CCCN(CCF)C1.
What is the InChIKey of 2-[1-(2-fluoroethyl)piperidin-3-yl]acetic acid?
The InChIKey is GRVSHZIFDDJWLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO2/c10-3-5-11-4-1-2-8(7-11)6-9(12)13/h8H,1-7H2,(H,12,13).
What are the key properties of 2-[1-(2-fluoroethyl)piperidin-3-yl]acetic acid?
2-[1-(2-fluoroethyl)piperidin-3-yl]acetic acid has a molecular weight of 189.23 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-fluoroethyl)piperidin-3-yl]acetic acid is sourced from PubChem (CID 80695917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).