phenyl-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]methanol

C20H22F3NO2 — CID 55625829

IUPACphenyl-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]methanol
SMILESOC(c1ccccc1)C1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C20H22F3NO2/c21-20(22,23)26-18-8-6-15(7-9-18)14-24-12-10-17(11-13-24)19(25)16-4-2-1-3-5-16/h1-9,17,19,25H,10-14H2
InChIKeyDCXQTTDLVDQPHF-UHFFFAOYSA-N
MW365.39 g/mol
LogP4.53
Rot. Bonds5

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

phenyl-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]methanol (PubChem CID 55625829) has the molecular formula C20H22F3NO2 and a molecular weight of 365.39 g/mol. Its IUPAC name is phenyl-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Namephenyl-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]methanol
PubChem CID55625829
Molecular FormulaC20H22F3NO2
Molecular Weight365.39 g/mol
Exact Mass365.16
IUPAC Namephenyl-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]methanol
SMILESOC(c1ccccc1)C1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C20H22F3NO2/c21-20(22,23)26-18-8-6-15(7-9-18)14-24-12-10-17(11-13-24)19(25)16-4-2-1-3-5-16/h1-9,17,19,25H,10-14H2
InChIKeyDCXQTTDLVDQPHF-UHFFFAOYSA-N
XLogP4.53
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(R)-(1-methylimidazol-2-yl)-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]methanol
CID 99639116
2-methoxy-2-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]acetic acid
CID 177337432
4-[[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]methyl]benzonitrile
CID 33349056
4-ethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidine
CID 118331263
3-[[4-[hydroxy(phenyl)methyl]piperidin-1-yl]methyl]benzoic acid
CID 122028578
1-benzyl-4-[bis[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-ol
CID 11497364
1-[1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]ethane-1,2-diol
CID 138381001
1-[[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]methyl]-4-propan-2-ylpiperidine
CID 89411330
2-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]phenol
CID 23081158
2-[(3R)-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]acetic acid
CID 97074078
(R)-phenyl-[1-(2-phenylethyl)piperidin-4-yl]methanol
CID 6604770
[1-[(4-ethoxyphenyl)methyl]piperidin-4-yl]-bis[4-(trifluoromethoxy)phenyl]methanol
CID 23373749

Frequently Asked Questions

What is the IUPAC name of phenyl-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]methanol?
The IUPAC name of phenyl-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]methanol (CID 55625829) is phenyl-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]methanol.
What is the SMILES notation for phenyl-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]methanol?
The canonical SMILES for phenyl-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]methanol is OC(c1ccccc1)C1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1.
What is the InChIKey of phenyl-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]methanol?
The InChIKey is DCXQTTDLVDQPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3NO2/c21-20(22,23)26-18-8-6-15(7-9-18)14-24-12-10-17(11-13-24)19(25)16-4-2-1-3-5-16/h1-9,17,19,25H,10-14H2.
What are the key properties of phenyl-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]methanol?
phenyl-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]methanol has a molecular weight of 365.39 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]methanol is sourced from PubChem (CID 55625829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).