1-[3-(trifluoromethoxy)phenyl]piperidin-3-ol

C12H14F3NO2 — CID 58973484

IUPAC1-[3-(trifluoromethoxy)phenyl]piperidin-3-ol
SMILESOC1CCCN(c2cccc(OC(F)(F)F)c2)C1
InChIInChI=1S/C12H14F3NO2/c13-12(14,15)18-11-5-1-3-9(7-11)16-6-2-4-10(17)8-16/h1,3,5,7,10,17H,2,4,6,8H2
InChIKeyVHGFPRKHIHBQDN-UHFFFAOYSA-N
MW261.24 g/mol
LogP2.55
Rot. Bonds2

About 1-[3-(trifluoromethoxy)phenyl]piperidin-3-ol

1-[3-(trifluoromethoxy)phenyl]piperidin-3-ol (PubChem CID 58973484) has the molecular formula C12H14F3NO2 and a molecular weight of 261.24 g/mol. Its IUPAC name is 1-[3-(trifluoromethoxy)phenyl]piperidin-3-ol.

Molecular Properties

Compound Name1-[3-(trifluoromethoxy)phenyl]piperidin-3-ol
PubChem CID58973484
Molecular FormulaC12H14F3NO2
Molecular Weight261.24 g/mol
Exact Mass261.10
IUPAC Name1-[3-(trifluoromethoxy)phenyl]piperidin-3-ol
SMILESOC1CCCN(c2cccc(OC(F)(F)F)c2)C1
InChIInChI=1S/C12H14F3NO2/c13-12(14,15)18-11-5-1-3-9(7-11)16-6-2-4-10(17)8-16/h1,3,5,7,10,17H,2,4,6,8H2
InChIKeyVHGFPRKHIHBQDN-UHFFFAOYSA-N
XLogP2.55
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(trifluoromethoxy)phenyl]piperidin-3-ol
CID 71226421
(3R)-1-[2-[3-(trifluoromethoxy)phenyl]pyrimidin-4-yl]piperidin-3-ol
CID 99928309
ethane;1-(3-fluorophenyl)piperidin-3-ol
CID 171539689
(3S)-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-ol
CID 107225119
1-[5-(trifluoromethoxy)-2-pyridinyl]piperidin-3-ol
CID 133488109
3-ethyl-1-[3-(trifluoromethoxy)phenyl]-1,4-diazepane
CID 64943718
1-[3-bromo-4-(trifluoromethyl)phenyl]piperidin-3-ol
CID 86806544
1-(3-nitrophenyl)piperidin-3-ol
CID 60981138
1-[3-(trifluoromethoxy)phenyl]piperazine;hydrochloride
CID 121226455
1-(3,4-dichlorophenyl)piperidin-3-ol
CID 117012806
2-[4-[3-(trifluoromethoxy)phenyl]piperazin-1-yl]ethanol
CID 11972047
ethane;1-[4-(trifluoromethoxy)phenyl]piperidin-3-amine
CID 142618828

Frequently Asked Questions

What is the IUPAC name of 1-[3-(trifluoromethoxy)phenyl]piperidin-3-ol?
The IUPAC name of 1-[3-(trifluoromethoxy)phenyl]piperidin-3-ol (CID 58973484) is 1-[3-(trifluoromethoxy)phenyl]piperidin-3-ol.
What is the SMILES notation for 1-[3-(trifluoromethoxy)phenyl]piperidin-3-ol?
The canonical SMILES for 1-[3-(trifluoromethoxy)phenyl]piperidin-3-ol is OC1CCCN(c2cccc(OC(F)(F)F)c2)C1.
What is the InChIKey of 1-[3-(trifluoromethoxy)phenyl]piperidin-3-ol?
The InChIKey is VHGFPRKHIHBQDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO2/c13-12(14,15)18-11-5-1-3-9(7-11)16-6-2-4-10(17)8-16/h1,3,5,7,10,17H,2,4,6,8H2.
What are the key properties of 1-[3-(trifluoromethoxy)phenyl]piperidin-3-ol?
1-[3-(trifluoromethoxy)phenyl]piperidin-3-ol has a molecular weight of 261.24 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(trifluoromethoxy)phenyl]piperidin-3-ol is sourced from PubChem (CID 58973484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).