2-[(4-fluoropiperidin-4-yl)methyl]phenol

C12H16FNO — CID 105462993

IUPAC2-[(4-fluoropiperidin-4-yl)methyl]phenol
SMILESOc1ccccc1CC1(F)CCNCC1
InChIInChI=1S/C12H16FNO/c13-12(5-7-14-8-6-12)9-10-3-1-2-4-11(10)15/h1-4,14-15H,5-9H2
InChIKeyBLLJUZBJRDDARY-UHFFFAOYSA-N
MW209.26 g/mol
LogP2.03
Rot. Bonds2

About 2-[(4-fluoropiperidin-4-yl)methyl]phenol

2-[(4-fluoropiperidin-4-yl)methyl]phenol (PubChem CID 105462993) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is 2-[(4-fluoropiperidin-4-yl)methyl]phenol.

Molecular Properties

Compound Name2-[(4-fluoropiperidin-4-yl)methyl]phenol
PubChem CID105462993
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name2-[(4-fluoropiperidin-4-yl)methyl]phenol
SMILESOc1ccccc1CC1(F)CCNCC1
InChIInChI=1S/C12H16FNO/c13-12(5-7-14-8-6-12)9-10-3-1-2-4-11(10)15/h1-4,14-15H,5-9H2
InChIKeyBLLJUZBJRDDARY-UHFFFAOYSA-N
XLogP2.03
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[(4-fluoropiperidin-4-yl)methyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-fluoro-1-methylpiperidin-4-yl)methyl]phenol
CID 105480737
4-fluoro-4-(naphthalen-1-ylmethyl)azepane
CID 103984040
4-benzyl-4-fluoropiperidine;ethane
CID 154662481
2-[(3-fluorooxolan-3-yl)methyl]phenol
CID 84720722
2-[(3-fluorothiolan-3-yl)methyl]phenol
CID 84723422
3-fluoro-3-(naphthalen-1-ylmethyl)pyrrolidine
CID 112564286
2-[(1-fluorocyclopropyl)methyl]aniline
CID 84717042
1-[2-[(3-fluoropyrrolidin-3-yl)methyl]phenyl]ethanone
CID 105477596
4-[(5-chloro-2-fluorophenyl)methyl]-4-fluoropiperidine
CID 103052130
5-[(4-fluoropiperidin-4-yl)methyl]-1,3-thiazole
CID 112645695
2-[(2-propan-2-ylazetidin-2-yl)methyl]phenol
CID 115058746
4-fluoro-4-[(4-iodophenyl)methyl]piperidine
CID 112563230

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluoropiperidin-4-yl)methyl]phenol?
The IUPAC name of 2-[(4-fluoropiperidin-4-yl)methyl]phenol (CID 105462993) is 2-[(4-fluoropiperidin-4-yl)methyl]phenol.
What is the SMILES notation for 2-[(4-fluoropiperidin-4-yl)methyl]phenol?
The canonical SMILES for 2-[(4-fluoropiperidin-4-yl)methyl]phenol is Oc1ccccc1CC1(F)CCNCC1.
What is the InChIKey of 2-[(4-fluoropiperidin-4-yl)methyl]phenol?
The InChIKey is BLLJUZBJRDDARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c13-12(5-7-14-8-6-12)9-10-3-1-2-4-11(10)15/h1-4,14-15H,5-9H2.
What are the key properties of 2-[(4-fluoropiperidin-4-yl)methyl]phenol?
2-[(4-fluoropiperidin-4-yl)methyl]phenol has a molecular weight of 209.26 g/mol, XLogP of 2.03, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluoropiperidin-4-yl)methyl]phenol is sourced from PubChem (CID 105462993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).