4-[2-(2-fluorophenyl)ethynyl]-1-hydroxypiperidine

C13H14FNO — CID 141073780

IUPAC4-[2-(2-fluorophenyl)ethynyl]-1-hydroxypiperidine
SMILESON1CCC(C#Cc2ccccc2F)CC1
InChIInChI=1S/C13H14FNO/c14-13-4-2-1-3-12(13)6-5-11-7-9-15(16)10-8-11/h1-4,11,16H,7-10H2
InChIKeyGECBCPRSSGUHAC-UHFFFAOYSA-N
MW219.26 g/mol
LogP2.28
Rot. Bonds

About 4-[2-(2-fluorophenyl)ethynyl]-1-hydroxypiperidine

4-[2-(2-fluorophenyl)ethynyl]-1-hydroxypiperidine (PubChem CID 141073780) has the molecular formula C13H14FNO and a molecular weight of 219.26 g/mol. Its IUPAC name is 4-[2-(2-fluorophenyl)ethynyl]-1-hydroxypiperidine.

Molecular Properties

Compound Name4-[2-(2-fluorophenyl)ethynyl]-1-hydroxypiperidine
PubChem CID141073780
Molecular FormulaC13H14FNO
Molecular Weight219.26 g/mol
Exact Mass219.11
IUPAC Name4-[2-(2-fluorophenyl)ethynyl]-1-hydroxypiperidine
SMILESON1CCC(C#Cc2ccccc2F)CC1
InChIInChI=1S/C13H14FNO/c14-13-4-2-1-3-12(13)6-5-11-7-9-15(16)10-8-11/h1-4,11,16H,7-10H2
InChIKeyGECBCPRSSGUHAC-UHFFFAOYSA-N
XLogP2.28
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-fluorophenyl)ethynyl]-1-hydroxypiperidine?
The IUPAC name of 4-[2-(2-fluorophenyl)ethynyl]-1-hydroxypiperidine (CID 141073780) is 4-[2-(2-fluorophenyl)ethynyl]-1-hydroxypiperidine.
What is the SMILES notation for 4-[2-(2-fluorophenyl)ethynyl]-1-hydroxypiperidine?
The canonical SMILES for 4-[2-(2-fluorophenyl)ethynyl]-1-hydroxypiperidine is ON1CCC(C#Cc2ccccc2F)CC1.
What is the InChIKey of 4-[2-(2-fluorophenyl)ethynyl]-1-hydroxypiperidine?
The InChIKey is GECBCPRSSGUHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO/c14-13-4-2-1-3-12(13)6-5-11-7-9-15(16)10-8-11/h1-4,11,16H,7-10H2.
What are the key properties of 4-[2-(2-fluorophenyl)ethynyl]-1-hydroxypiperidine?
4-[2-(2-fluorophenyl)ethynyl]-1-hydroxypiperidine has a molecular weight of 219.26 g/mol, XLogP of 2.28, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-fluorophenyl)ethynyl]-1-hydroxypiperidine is sourced from PubChem (CID 141073780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).