(2R)-2-[4-[phenoxy-[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]propan-1-ol

C22H26F3NO2 — CID 68971762

IUPAC(2R)-2-[4-[phenoxy-[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]propan-1-ol
SMILESC[C@H](CO)N1CCC(C(Oc2ccccc2)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C22H26F3NO2/c1-16(15-27)26-13-11-18(12-14-26)21(28-20-5-3-2-4-6-20)17-7-9-19(10-8-17)22(23,24)25/h2-10,16,18,21,27H,11-15H2,1H3/t16-,21?/m1/s1
InChIKeyPBUQWDPWLITHRV-UJONTBEJSA-N
MW393.45 g/mol
LogP4.92
Rot. Bonds6

About (2R)-2-[4-[phenoxy-[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]propan-1-ol

(2R)-2-[4-[phenoxy-[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]propan-1-ol (PubChem CID 68971762) has the molecular formula C22H26F3NO2 and a molecular weight of 393.45 g/mol. Its IUPAC name is (2R)-2-[4-[phenoxy-[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]propan-1-ol.

Molecular Properties

Compound Name(2R)-2-[4-[phenoxy-[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]propan-1-ol
PubChem CID68971762
Molecular FormulaC22H26F3NO2
Molecular Weight393.45 g/mol
Exact Mass393.19
IUPAC Name(2R)-2-[4-[phenoxy-[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]propan-1-ol
SMILESC[C@H](CO)N1CCC(C(Oc2ccccc2)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C22H26F3NO2/c1-16(15-27)26-13-11-18(12-14-26)21(28-20-5-3-2-4-6-20)17-7-9-19(10-8-17)22(23,24)25/h2-10,16,18,21,27H,11-15H2,1H3/t16-,21?/m1/s1
InChIKeyPBUQWDPWLITHRV-UJONTBEJSA-N
XLogP4.92
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-2-[4-[phenoxy-[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]propan-1-ol with MolForge

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Related Compounds

2-[3-[4-[phenoxy-[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]butyl]pyridine-3-carboxamide
CID 154287849
3,5-dichloro-N-[3-[4-[[4-(trifluoromethyl)phenoxy]-[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]butyl]pyridine-4-carboxamide
CID 54585386
2-[phenoxy-[4-(trifluoromethyl)phenyl]methyl]-4-propan-2-ylmorpholine
CID 23458321
2-[2-(2-methylpropyl)phenyl]-1-[(3S)-3-[(S)-phenyl-[4-(trifluoromethyl)phenoxy]methyl]piperidin-1-yl]propan-1-one
CID 70844537
diphenyl-[1-[3-[4-(trifluoromethyl)phenoxy]butyl]piperidin-4-yl]methanol
CID 54669634
(3S)-3-[(1R)-3-phenylsulfanyl-1-[4-(trifluoromethyl)phenoxy]propyl]pyrrolidine-1-carboxylic acid
CID 149432474
(2S)-2-phenyl-2-[1-[4-(trifluoromethyl)phenyl]ethylamino]ethanol
CID 111521938
4-methoxy-1-[4-methyl-4-[4-(trifluoromethyl)phenyl]hexan-2-yl]piperidine
CID 165134929
N-[[1-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]methanesulfonamide
CID 126804629
1-[1-phenyl-3-(4-propylcyclohexyl)propoxy]-4-(trifluoromethyl)benzene
CID 67613693
2-[(4-ethoxyphenoxy)-[4-(trifluoromethyl)phenyl]methyl]-4-methylmorpholine
CID 23458263
2-pyrrolidin-1-yl-2-[4-(trifluoromethyl)phenyl]ethanol
CID 54775908

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-[phenoxy-[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]propan-1-ol?
The IUPAC name of (2R)-2-[4-[phenoxy-[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]propan-1-ol (CID 68971762) is (2R)-2-[4-[phenoxy-[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]propan-1-ol.
What is the SMILES notation for (2R)-2-[4-[phenoxy-[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]propan-1-ol?
The canonical SMILES for (2R)-2-[4-[phenoxy-[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]propan-1-ol is C[C@H](CO)N1CCC(C(Oc2ccccc2)c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of (2R)-2-[4-[phenoxy-[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]propan-1-ol?
The InChIKey is PBUQWDPWLITHRV-UJONTBEJSA-N. The full InChI is InChI=1S/C22H26F3NO2/c1-16(15-27)26-13-11-18(12-14-26)21(28-20-5-3-2-4-6-20)17-7-9-19(10-8-17)22(23,24)25/h2-10,16,18,21,27H,11-15H2,1H3/t16-,21?/m1/s1.
What are the key properties of (2R)-2-[4-[phenoxy-[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]propan-1-ol?
(2R)-2-[4-[phenoxy-[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]propan-1-ol has a molecular weight of 393.45 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-[phenoxy-[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]propan-1-ol is sourced from PubChem (CID 68971762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).