4-(2-fluoro-1-piperidin-3-ylpropan-2-yl)phenol

C14H20FNO — CID 105499355

IUPAC4-(2-fluoro-1-piperidin-3-ylpropan-2-yl)phenol
SMILESCC(F)(CC1CCCNC1)c1ccc(O)cc1
InChIInChI=1S/C14H20FNO/c1-14(15,9-11-3-2-8-16-10-11)12-4-6-13(17)7-5-12/h4-7,11,16-17H,2-3,8-10H2,1H3
InChIKeyIKMCSCALEYWIAK-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.97
Rot. Bonds3

About 4-(2-fluoro-1-piperidin-3-ylpropan-2-yl)phenol

4-(2-fluoro-1-piperidin-3-ylpropan-2-yl)phenol (PubChem CID 105499355) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 4-(2-fluoro-1-piperidin-3-ylpropan-2-yl)phenol.

Molecular Properties

Compound Name4-(2-fluoro-1-piperidin-3-ylpropan-2-yl)phenol
PubChem CID105499355
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name4-(2-fluoro-1-piperidin-3-ylpropan-2-yl)phenol
SMILESCC(F)(CC1CCCNC1)c1ccc(O)cc1
InChIInChI=1S/C14H20FNO/c1-14(15,9-11-3-2-8-16-10-11)12-4-6-13(17)7-5-12/h4-7,11,16-17H,2-3,8-10H2,1H3
InChIKeyIKMCSCALEYWIAK-UHFFFAOYSA-N
XLogP2.97
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-fluoro-1-pyrrolidin-3-ylpropan-2-yl)phenol
CID 105480756
3-(2,2-dimethylpropyl)piperidine
CID 21041533
3-(2,2-difluoro-2-phenylethyl)piperidine
CID 116790999
2-fluoro-N,2-dimethyl-3-piperidin-3-ylpropan-1-amine
CID 105443321
3,3-difluoro-4-piperidin-3-ylbutan-2-ol
CID 105446942
3-[[5-(2-fluoropropan-2-yl)-2-methylphenyl]methyl]piperidine
CID 117377672
2-methyl-1-phenyl-3-piperidin-3-ylpropan-2-ol
CID 105493526
4-(1-cycloheptyl-2-methylpropan-2-yl)phenol
CID 66619667
3-[[3-(1,1-difluoroethyl)phenyl]methyl]piperidine
CID 84701353
N-(4-tert-butylphenyl)-2-piperidin-3-ylacetamide
CID 62690880
3-[2,2-difluoro-2-(2,4,6-trimethylphenyl)ethyl]piperidine
CID 116840323
N-(piperidin-3-ylmethyl)-4-(trifluoromethyl)benzamide
CID 24701631

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-1-piperidin-3-ylpropan-2-yl)phenol?
The IUPAC name of 4-(2-fluoro-1-piperidin-3-ylpropan-2-yl)phenol (CID 105499355) is 4-(2-fluoro-1-piperidin-3-ylpropan-2-yl)phenol.
What is the SMILES notation for 4-(2-fluoro-1-piperidin-3-ylpropan-2-yl)phenol?
The canonical SMILES for 4-(2-fluoro-1-piperidin-3-ylpropan-2-yl)phenol is CC(F)(CC1CCCNC1)c1ccc(O)cc1.
What is the InChIKey of 4-(2-fluoro-1-piperidin-3-ylpropan-2-yl)phenol?
The InChIKey is IKMCSCALEYWIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-14(15,9-11-3-2-8-16-10-11)12-4-6-13(17)7-5-12/h4-7,11,16-17H,2-3,8-10H2,1H3.
What are the key properties of 4-(2-fluoro-1-piperidin-3-ylpropan-2-yl)phenol?
4-(2-fluoro-1-piperidin-3-ylpropan-2-yl)phenol has a molecular weight of 237.32 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-1-piperidin-3-ylpropan-2-yl)phenol is sourced from PubChem (CID 105499355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).