1-[4-(trifluoromethoxy)phenyl]piperidin-3-ol

C12H14F3NO2 — CID 71226421

IUPAC1-[4-(trifluoromethoxy)phenyl]piperidin-3-ol
SMILESOC1CCCN(c2ccc(OC(F)(F)F)cc2)C1
InChIInChI=1S/C12H14F3NO2/c13-12(14,15)18-11-5-3-9(4-6-11)16-7-1-2-10(17)8-16/h3-6,10,17H,1-2,7-8H2
InChIKeyAWBGQUPRVMAVLK-UHFFFAOYSA-N
MW261.24 g/mol
LogP2.55
Rot. Bonds2

About 1-[4-(trifluoromethoxy)phenyl]piperidin-3-ol

1-[4-(trifluoromethoxy)phenyl]piperidin-3-ol (PubChem CID 71226421) has the molecular formula C12H14F3NO2 and a molecular weight of 261.24 g/mol. Its IUPAC name is 1-[4-(trifluoromethoxy)phenyl]piperidin-3-ol.

Molecular Properties

Compound Name1-[4-(trifluoromethoxy)phenyl]piperidin-3-ol
PubChem CID71226421
Molecular FormulaC12H14F3NO2
Molecular Weight261.24 g/mol
Exact Mass261.10
IUPAC Name1-[4-(trifluoromethoxy)phenyl]piperidin-3-ol
SMILESOC1CCCN(c2ccc(OC(F)(F)F)cc2)C1
InChIInChI=1S/C12H14F3NO2/c13-12(14,15)18-11-5-3-9(4-6-11)16-7-1-2-10(17)8-16/h3-6,10,17H,1-2,7-8H2
InChIKeyAWBGQUPRVMAVLK-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-[3-(trifluoromethoxy)phenyl]piperidin-3-ol
CID 58973484
ethane;1-[4-(trifluoromethoxy)phenyl]piperidin-3-amine
CID 142618828
1-[5-(trifluoromethoxy)-2-pyridinyl]piperidin-3-ol
CID 133488109
(3S)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-3-ol
CID 26458695
1-(4-ethoxyphenyl)piperidin-3-ol
CID 117012789
4-[(3R)-3-hydroxypiperidin-1-yl]benzoic acid
CID 94373368
4-deuterio-1-[4-(trifluoromethoxy)phenyl]piperidine
CID 175691853
(3S)-3-hydroxy-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide
CID 107224975
(2R)-1-[4-(trifluoromethoxy)phenyl]pyrrolidine-2-carboxylic acid
CID 118058322
3-propan-2-yl-1-[4-(trifluoromethoxy)phenyl]-1,4-diazepane
CID 64941897
(3R)-1-[4-(hydroxyamino)phenyl]piperidin-3-ol
CID 174597326
(3S)-1-[4-(hydroxyamino)phenyl]piperidin-3-ol
CID 175262082

Frequently Asked Questions

What is the IUPAC name of 1-[4-(trifluoromethoxy)phenyl]piperidin-3-ol?
The IUPAC name of 1-[4-(trifluoromethoxy)phenyl]piperidin-3-ol (CID 71226421) is 1-[4-(trifluoromethoxy)phenyl]piperidin-3-ol.
What is the SMILES notation for 1-[4-(trifluoromethoxy)phenyl]piperidin-3-ol?
The canonical SMILES for 1-[4-(trifluoromethoxy)phenyl]piperidin-3-ol is OC1CCCN(c2ccc(OC(F)(F)F)cc2)C1.
What is the InChIKey of 1-[4-(trifluoromethoxy)phenyl]piperidin-3-ol?
The InChIKey is AWBGQUPRVMAVLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO2/c13-12(14,15)18-11-5-3-9(4-6-11)16-7-1-2-10(17)8-16/h3-6,10,17H,1-2,7-8H2.
What are the key properties of 1-[4-(trifluoromethoxy)phenyl]piperidin-3-ol?
1-[4-(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-[4-(trifluoromethoxy)phenyl]piperidin-3-ol is sourced from PubChem (CID 71226421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).