3-piperidin-4-yl-5-(trifluoromethyl)phenol;hydrochloride

C12H15ClF3NO — CID 163197147

IUPAC3-piperidin-4-yl-5-(trifluoromethyl)phenol;hydrochloride
SMILESCl.Oc1cc(C2CCNCC2)cc(C(F)(F)F)c1
InChIInChI=1S/C12H14F3NO.ClH/c13-12(14,15)10-5-9(6-11(17)7-10)8-1-3-16-4-2-8;/h5-8,16-17H,1-4H2;1H
InChIKeyWUBQBZDCPDAFEF-UHFFFAOYSA-N
MW281.70 g/mol
LogP3.30
Rot. Bonds1

About 3-piperidin-4-yl-5-(trifluoromethyl)phenol;hydrochloride

3-piperidin-4-yl-5-(trifluoromethyl)phenol;hydrochloride (PubChem CID 163197147) has the molecular formula C12H15ClF3NO and a molecular weight of 281.70 g/mol. Its IUPAC name is 3-piperidin-4-yl-5-(trifluoromethyl)phenol;hydrochloride.

Molecular Properties

Compound Name3-piperidin-4-yl-5-(trifluoromethyl)phenol;hydrochloride
PubChem CID163197147
Molecular FormulaC12H15ClF3NO
Molecular Weight281.70 g/mol
Exact Mass281.08
IUPAC Name3-piperidin-4-yl-5-(trifluoromethyl)phenol;hydrochloride
SMILESCl.Oc1cc(C2CCNCC2)cc(C(F)(F)F)c1
InChIInChI=1S/C12H14F3NO.ClH/c13-12(14,15)10-5-9(6-11(17)7-10)8-1-3-16-4-2-8;/h5-8,16-17H,1-4H2;1H
InChIKeyWUBQBZDCPDAFEF-UHFFFAOYSA-N
XLogP3.30
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.70
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-piperidin-4-yl-5-(trifluoromethyl)phenol;hydrochloride?
The IUPAC name of 3-piperidin-4-yl-5-(trifluoromethyl)phenol;hydrochloride (CID 163197147) is 3-piperidin-4-yl-5-(trifluoromethyl)phenol;hydrochloride.
What is the SMILES notation for 3-piperidin-4-yl-5-(trifluoromethyl)phenol;hydrochloride?
The canonical SMILES for 3-piperidin-4-yl-5-(trifluoromethyl)phenol;hydrochloride is Cl.Oc1cc(C2CCNCC2)cc(C(F)(F)F)c1.
What is the InChIKey of 3-piperidin-4-yl-5-(trifluoromethyl)phenol;hydrochloride?
The InChIKey is WUBQBZDCPDAFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO.ClH/c13-12(14,15)10-5-9(6-11(17)7-10)8-1-3-16-4-2-8;/h5-8,16-17H,1-4H2;1H.
What are the key properties of 3-piperidin-4-yl-5-(trifluoromethyl)phenol;hydrochloride?
3-piperidin-4-yl-5-(trifluoromethyl)phenol;hydrochloride has a molecular weight of 281.70 g/mol, XLogP of 3.30, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-4-yl-5-(trifluoromethyl)phenol;hydrochloride is sourced from PubChem (CID 163197147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).