1-[4-(1,1-difluoroethyl)phenyl]piperidin-4-ol

C13H17F2NO — CID 70845344

IUPAC1-[4-(1,1-difluoroethyl)phenyl]piperidin-4-ol
SMILESCC(F)(F)c1ccc(N2CCC(O)CC2)cc1
InChIInChI=1S/C13H17F2NO/c1-13(14,15)10-2-4-11(5-3-10)16-8-6-12(17)7-9-16/h2-5,12,17H,6-9H2,1H3
InChIKeyYMFNQRJMUIVGEI-UHFFFAOYSA-N
MW241.28 g/mol
LogP2.76
Rot. Bonds2

About 1-[4-(1,1-difluoroethyl)phenyl]piperidin-4-ol

1-[4-(1,1-difluoroethyl)phenyl]piperidin-4-ol (PubChem CID 70845344) has the molecular formula C13H17F2NO and a molecular weight of 241.28 g/mol. Its IUPAC name is 1-[4-(1,1-difluoroethyl)phenyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[4-(1,1-difluoroethyl)phenyl]piperidin-4-ol
PubChem CID70845344
Molecular FormulaC13H17F2NO
Molecular Weight241.28 g/mol
Exact Mass241.13
IUPAC Name1-[4-(1,1-difluoroethyl)phenyl]piperidin-4-ol
SMILESCC(F)(F)c1ccc(N2CCC(O)CC2)cc1
InChIInChI=1S/C13H17F2NO/c1-13(14,15)10-2-4-11(5-3-10)16-8-6-12(17)7-9-16/h2-5,12,17H,6-9H2,1H3
InChIKeyYMFNQRJMUIVGEI-UHFFFAOYSA-N
XLogP2.76
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-tert-butyl-5-(trifluoromethyl)phenyl]piperidin-4-ol
CID 59774721
1-(4-piperidin-1-ylphenyl)piperidin-4-ol
CID 82090298
1-(4-tert-butylphenyl)-4-propan-2-ylpiperidine;ethane
CID 145175028
1-[1-[4-(2-fluoropropan-2-yl)phenyl]piperidin-4-yl]ethenamine
CID 145074067
1-phenylpiperidin-4-ol;dihydrochloride
CID 174840165
1-[4-[(1S)-1-hydroxyethyl]phenyl]piperidin-4-ol
CID 63370794
ethane;1-[3-methyl-5-(trifluoromethyl)phenyl]piperidin-4-ol
CID 143712310
1-[1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]ethanol
CID 112627963
tert-butyl 4-(4-hydroxypiperidin-1-yl)benzoate;ethane
CID 156645380
1-[4-[(2,2-dimethylpropylamino)methyl]phenyl]piperidin-4-ol
CID 126825509
1-[4-(4-hydroxycyclohexyl)phenyl]piperidin-4-ol
CID 54277612
1-(4-tert-butylphenyl)pyrrolidin-3-amine
CID 43314959

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,1-difluoroethyl)phenyl]piperidin-4-ol?
The IUPAC name of 1-[4-(1,1-difluoroethyl)phenyl]piperidin-4-ol (CID 70845344) is 1-[4-(1,1-difluoroethyl)phenyl]piperidin-4-ol.
What is the SMILES notation for 1-[4-(1,1-difluoroethyl)phenyl]piperidin-4-ol?
The canonical SMILES for 1-[4-(1,1-difluoroethyl)phenyl]piperidin-4-ol is CC(F)(F)c1ccc(N2CCC(O)CC2)cc1.
What is the InChIKey of 1-[4-(1,1-difluoroethyl)phenyl]piperidin-4-ol?
The InChIKey is YMFNQRJMUIVGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO/c1-13(14,15)10-2-4-11(5-3-10)16-8-6-12(17)7-9-16/h2-5,12,17H,6-9H2,1H3.
What are the key properties of 1-[4-(1,1-difluoroethyl)phenyl]piperidin-4-ol?
1-[4-(1,1-difluoroethyl)phenyl]piperidin-4-ol has a molecular weight of 241.28 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,1-difluoroethyl)phenyl]piperidin-4-ol is sourced from PubChem (CID 70845344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).