4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenol

C18H18F3NO2 — CID 70874455

IUPAC4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenol
SMILESOc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)cc1
InChIInChI=1S/C18H18F3NO2/c19-18(20,21)24-17-7-1-13(2-8-17)14-9-11-22(12-10-14)15-3-5-16(23)6-4-15/h1-8,14,23H,9-12H2
InChIKeyMOOQOBDWWPWJGU-UHFFFAOYSA-N
MW337.34 g/mol
LogP4.67
Rot. Bonds3

About 4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenol

4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenol (PubChem CID 70874455) has the molecular formula C18H18F3NO2 and a molecular weight of 337.34 g/mol. Its IUPAC name is 4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenol.

Molecular Properties

Compound Name4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenol
PubChem CID70874455
Molecular FormulaC18H18F3NO2
Molecular Weight337.34 g/mol
Exact Mass337.13
IUPAC Name4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenol
SMILESOc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)cc1
InChIInChI=1S/C18H18F3NO2/c19-18(20,21)24-17-7-1-13(2-8-17)14-9-11-22(12-10-14)15-3-5-16(23)6-4-15/h1-8,14,23H,9-12H2
InChIKeyMOOQOBDWWPWJGU-UHFFFAOYSA-N
XLogP4.67
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[4-(trifluoromethoxy)phenyl]methyl]piperidine;4-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-1-yl]phenol
CID 158919726
1-(4-fluorocyclohexyl)-4-(trifluoromethoxy)benzene
CID 23539864
N-[1-[4-(trifluoromethoxy)phenyl]piperidin-4-yl]acetamide
CID 60583825
1-[4-(trifluoromethoxy)phenyl]piperidin-3-ol
CID 71226421
N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]thieno[3,2-d]pyrimidin-4-amine
CID 163201620
1-[4-(trifluoromethoxy)phenyl]piperazine;hydrochloride
CID 86767631
4-deuterio-1-[4-(trifluoromethoxy)phenyl]piperidine
CID 175691853
7-hydroxy-7-methyl-1-[1-[4-(trifluoromethoxy)phenyl]piperidin-4-yl]-4,6-dihydro-3H-isoindol-5-one
CID 147774576
1-(4-ethylphenyl)-4-(4-methoxyphenyl)piperidine
CID 166657002
1-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-3-[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one
CID 159209813
[4-[[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]methyl]phenyl]boronic acid
CID 68627108
2-chloro-4-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]phenol
CID 70873529

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenol?
The IUPAC name of 4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenol (CID 70874455) is 4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenol.
What is the SMILES notation for 4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenol?
The canonical SMILES for 4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenol is Oc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)cc1.
What is the InChIKey of 4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenol?
The InChIKey is MOOQOBDWWPWJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3NO2/c19-18(20,21)24-17-7-1-13(2-8-17)14-9-11-22(12-10-14)15-3-5-16(23)6-4-15/h1-8,14,23H,9-12H2.
What are the key properties of 4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenol?
4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenol has a molecular weight of 337.34 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenol is sourced from PubChem (CID 70874455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).