4-(1-fluoro-2-piperidin-4-ylethyl)phenol

C13H18FNO — CID 105480837

IUPAC4-(1-fluoro-2-piperidin-4-ylethyl)phenol
SMILESOc1ccc(C(F)CC2CCNCC2)cc1
InChIInChI=1S/C13H18FNO/c14-13(9-10-5-7-15-8-6-10)11-1-3-12(16)4-2-11/h1-4,10,13,15-16H,5-9H2
InChIKeyFFXYOUXIOKQNLP-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.79
Rot. Bonds3

About 4-(1-fluoro-2-piperidin-4-ylethyl)phenol

4-(1-fluoro-2-piperidin-4-ylethyl)phenol (PubChem CID 105480837) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 4-(1-fluoro-2-piperidin-4-ylethyl)phenol.

Molecular Properties

Compound Name4-(1-fluoro-2-piperidin-4-ylethyl)phenol
PubChem CID105480837
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name4-(1-fluoro-2-piperidin-4-ylethyl)phenol
SMILESOc1ccc(C(F)CC2CCNCC2)cc1
InChIInChI=1S/C13H18FNO/c14-13(9-10-5-7-15-8-6-10)11-1-3-12(16)4-2-11/h1-4,10,13,15-16H,5-9H2
InChIKeyFFXYOUXIOKQNLP-UHFFFAOYSA-N
XLogP2.79
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-fluoro-2-(4-methylphenyl)ethyl]piperidine
CID 105478233
3-[2-(4-chlorophenyl)-2-fluoroethyl]pyrrolidine
CID 105485073
4-(piperidin-4-ylmethyl)phenol
CID 17039495
4-[(1R)-2-cyclopropyl-1-piperazin-1-ylethyl]phenol;dihydrochloride
CID 171285197
4-[[4-(difluoromethyl)phenyl]methyl]piperidine
CID 84689877
4-[(R)-cyclobutyl(piperazin-1-yl)methyl]phenol
CID 171285182
4-(azepan-4-ylmethyl)phenol
CID 83261604
4-[(R)-cyclopentyl(piperazin-1-yl)methyl]phenol;dihydrochloride
CID 171285185
1-(4-methoxyphenyl)-2-piperidin-4-ylethanol
CID 84698858
1-(3,4-difluorophenyl)-2-piperidin-4-ylethanamine
CID 116936470
4-(2-fluoro-3-phenylpropyl)piperidine
CID 18364807
3-[2-(azepan-4-yl)-1-hydroxyethyl]phenol
CID 84698860

Frequently Asked Questions

What is the IUPAC name of 4-(1-fluoro-2-piperidin-4-ylethyl)phenol?
The IUPAC name of 4-(1-fluoro-2-piperidin-4-ylethyl)phenol (CID 105480837) is 4-(1-fluoro-2-piperidin-4-ylethyl)phenol.
What is the SMILES notation for 4-(1-fluoro-2-piperidin-4-ylethyl)phenol?
The canonical SMILES for 4-(1-fluoro-2-piperidin-4-ylethyl)phenol is Oc1ccc(C(F)CC2CCNCC2)cc1.
What is the InChIKey of 4-(1-fluoro-2-piperidin-4-ylethyl)phenol?
The InChIKey is FFXYOUXIOKQNLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c14-13(9-10-5-7-15-8-6-10)11-1-3-12(16)4-2-11/h1-4,10,13,15-16H,5-9H2.
What are the key properties of 4-(1-fluoro-2-piperidin-4-ylethyl)phenol?
4-(1-fluoro-2-piperidin-4-ylethyl)phenol has a molecular weight of 223.29 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-fluoro-2-piperidin-4-ylethyl)phenol is sourced from PubChem (CID 105480837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).