5-[1-(2-fluoroethyl)piperidin-4-yl]pentanoic acid

C12H22FNO2 — CID 91537841

IUPAC5-[1-(2-fluoroethyl)piperidin-4-yl]pentanoic acid
SMILESO=C(O)CCCCC1CCN(CCF)CC1
InChIInChI=1S/C12H22FNO2/c13-7-10-14-8-5-11(6-9-14)3-1-2-4-12(15)16/h11H,1-10H2,(H,15,16)
InChIKeyCXKDDOOGRSSVDX-UHFFFAOYSA-N
MW231.31 g/mol
LogP2.31
Rot. Bonds7

About 5-[1-(2-fluoroethyl)piperidin-4-yl]pentanoic acid

5-[1-(2-fluoroethyl)piperidin-4-yl]pentanoic acid (PubChem CID 91537841) has the molecular formula C12H22FNO2 and a molecular weight of 231.31 g/mol. Its IUPAC name is 5-[1-(2-fluoroethyl)piperidin-4-yl]pentanoic acid.

Molecular Properties

Compound Name5-[1-(2-fluoroethyl)piperidin-4-yl]pentanoic acid
PubChem CID91537841
Molecular FormulaC12H22FNO2
Molecular Weight231.31 g/mol
Exact Mass231.16
IUPAC Name5-[1-(2-fluoroethyl)piperidin-4-yl]pentanoic acid
SMILESO=C(O)CCCCC1CCN(CCF)CC1
InChIInChI=1S/C12H22FNO2/c13-7-10-14-8-5-11(6-9-14)3-1-2-4-12(15)16/h11H,1-10H2,(H,15,16)
InChIKeyCXKDDOOGRSSVDX-UHFFFAOYSA-N
XLogP2.31
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.31
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-fluoroethyl)piperidin-4-yl]pentanoic acid?
The IUPAC name of 5-[1-(2-fluoroethyl)piperidin-4-yl]pentanoic acid (CID 91537841) is 5-[1-(2-fluoroethyl)piperidin-4-yl]pentanoic acid.
What is the SMILES notation for 5-[1-(2-fluoroethyl)piperidin-4-yl]pentanoic acid?
The canonical SMILES for 5-[1-(2-fluoroethyl)piperidin-4-yl]pentanoic acid is O=C(O)CCCCC1CCN(CCF)CC1.
What is the InChIKey of 5-[1-(2-fluoroethyl)piperidin-4-yl]pentanoic acid?
The InChIKey is CXKDDOOGRSSVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22FNO2/c13-7-10-14-8-5-11(6-9-14)3-1-2-4-12(15)16/h11H,1-10H2,(H,15,16).
What are the key properties of 5-[1-(2-fluoroethyl)piperidin-4-yl]pentanoic acid?
5-[1-(2-fluoroethyl)piperidin-4-yl]pentanoic acid has a molecular weight of 231.31 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-fluoroethyl)piperidin-4-yl]pentanoic acid is sourced from PubChem (CID 91537841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).