ethane;1-(3-fluorophenyl)piperidin-3-ol

C13H20FNO — CID 171539689

IUPACethane;1-(3-fluorophenyl)piperidin-3-ol
SMILESCC.OC1CCCN(c2cccc(F)c2)C1
InChIInChI=1S/C11H14FNO.C2H6/c12-9-3-1-4-10(7-9)13-6-2-5-11(14)8-13;1-2/h1,3-4,7,11,14H,2,5-6,8H2;1-2H3
InChIKeyRITNBIOJIJONKP-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.81
Rot. Bonds1

About ethane;1-(3-fluorophenyl)piperidin-3-ol

ethane;1-(3-fluorophenyl)piperidin-3-ol (PubChem CID 171539689) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is ethane;1-(3-fluorophenyl)piperidin-3-ol.

Molecular Properties

Compound Nameethane;1-(3-fluorophenyl)piperidin-3-ol
PubChem CID171539689
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC Nameethane;1-(3-fluorophenyl)piperidin-3-ol
SMILESCC.OC1CCCN(c2cccc(F)c2)C1
InChIInChI=1S/C11H14FNO.C2H6/c12-9-3-1-4-10(7-9)13-6-2-5-11(14)8-13;1-2/h1,3-4,7,11,14H,2,5-6,8H2;1-2H3
InChIKeyRITNBIOJIJONKP-UHFFFAOYSA-N
XLogP2.81
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-[2-[(7aR)-4-(3-fluorophenyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrrolo[3,2-b]pyridin-1-yl]-4-pyridinyl]piperidin-3-ol
CID 176995802
1-[3-(trifluoromethoxy)phenyl]piperidin-3-ol
CID 58973484
2-[[1-(3-fluorophenyl)piperidin-3-yl]-methylamino]ethanol
CID 117005019
ethane;1-(3-methylphenyl)pyrrolidin-3-ol
CID 168922938
1-(3-nitrophenyl)piperidin-3-ol
CID 60981138
1-(3,4-dichlorophenyl)piperidin-3-ol
CID 117012806
1-(4-bromo-3-methylphenyl)piperidin-3-ol
CID 117012803
1-(4-amino-3-methylphenyl)piperidin-3-ol
CID 43502899
(3R)-1-(2-bromo-5-fluorophenyl)piperidin-3-ol
CID 170753354
1-(3-hydroxyphenyl)pyrrolidin-3-ol
CID 90894280
1-[4-hydroxy-3-(methylamino)phenyl]piperidin-3-ol
CID 123879293
N-[1-(3-fluorophenyl)piperidin-3-yl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119884155

Frequently Asked Questions

What is the IUPAC name of ethane;1-(3-fluorophenyl)piperidin-3-ol?
The IUPAC name of ethane;1-(3-fluorophenyl)piperidin-3-ol (CID 171539689) is ethane;1-(3-fluorophenyl)piperidin-3-ol.
What is the SMILES notation for ethane;1-(3-fluorophenyl)piperidin-3-ol?
The canonical SMILES for ethane;1-(3-fluorophenyl)piperidin-3-ol is CC.OC1CCCN(c2cccc(F)c2)C1.
What is the InChIKey of ethane;1-(3-fluorophenyl)piperidin-3-ol?
The InChIKey is RITNBIOJIJONKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO.C2H6/c12-9-3-1-4-10(7-9)13-6-2-5-11(14)8-13;1-2/h1,3-4,7,11,14H,2,5-6,8H2;1-2H3.
What are the key properties of ethane;1-(3-fluorophenyl)piperidin-3-ol?
ethane;1-(3-fluorophenyl)piperidin-3-ol has a molecular weight of 225.31 g/mol, XLogP of 2.81, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(3-fluorophenyl)piperidin-3-ol is sourced from PubChem (CID 171539689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).