4-[1-[[3,5-bis(trifluoromethyl)phenyl]methoxy]ethyl]-4-phenylpiperidine

C22H23F6NO — CID 19960246

IUPAC4-[1-[[3,5-bis(trifluoromethyl)phenyl]methoxy]ethyl]-4-phenylpiperidine
SMILESCC(OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1(c2ccccc2)CCNCC1
InChIInChI=1S/C22H23F6NO/c1-15(20(7-9-29-10-8-20)17-5-3-2-4-6-17)30-14-16-11-18(21(23,24)25)13-19(12-16)22(26,27)28/h2-6,11-13,15,29H,7-10,14H2,1H3
InChIKeyQJILAJBFJZDXLQ-UHFFFAOYSA-N
MW431.42 g/mol
LogP5.95
Rot. Bonds5

About 4-[1-[[3,5-bis(trifluoromethyl)phenyl]methoxy]ethyl]-4-phenylpiperidine

4-[1-[[3,5-bis(trifluoromethyl)phenyl]methoxy]ethyl]-4-phenylpiperidine (PubChem CID 19960246) has the molecular formula C22H23F6NO and a molecular weight of 431.42 g/mol. Its IUPAC name is 4-[1-[[3,5-bis(trifluoromethyl)phenyl]methoxy]ethyl]-4-phenylpiperidine.

Molecular Properties

Compound Name4-[1-[[3,5-bis(trifluoromethyl)phenyl]methoxy]ethyl]-4-phenylpiperidine
PubChem CID19960246
Molecular FormulaC22H23F6NO
Molecular Weight431.42 g/mol
Exact Mass431.17
IUPAC Name4-[1-[[3,5-bis(trifluoromethyl)phenyl]methoxy]ethyl]-4-phenylpiperidine
SMILESCC(OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1(c2ccccc2)CCNCC1
InChIInChI=1S/C22H23F6NO/c1-15(20(7-9-29-10-8-20)17-5-3-2-4-6-17)30-14-16-11-18(21(23,24)25)13-19(12-16)22(26,27)28/h2-6,11-13,15,29H,7-10,14H2,1H3
InChIKeyQJILAJBFJZDXLQ-UHFFFAOYSA-N
XLogP5.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.42
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenylazepane
CID 11654898
3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)aniline
CID 143563799
2-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2-phenylpyrrolidine
CID 19960152
4-[[3-(2,6-difluorophenyl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine
CID 24783931
4-[[3-(3,5-dibromophenyl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine
CID 24784705
4-[[3-(4-methoxy-2,5-dimethylphenyl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine
CID 24784706
4-[[3-[4-(4-methylsulfanylphenyl)phenyl]-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine
CID 24783165
4-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine
CID 24785977
4-[[3-(3,4-dimethoxyphenyl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine
CID 143563810
1-[(1-phenylcyclohexyl)methoxymethyl]-3,5-bis(trifluoromethyl)benzene
CID 71583093
[3-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]phenyl]methanol
CID 24784708
2-[3,5-bis(trifluoromethyl)phenyl]-2-[(4-phenylpiperidin-4-yl)methoxy]acetamide
CID 23204459

Frequently Asked Questions

What is the IUPAC name of 4-[1-[[3,5-bis(trifluoromethyl)phenyl]methoxy]ethyl]-4-phenylpiperidine?
The IUPAC name of 4-[1-[[3,5-bis(trifluoromethyl)phenyl]methoxy]ethyl]-4-phenylpiperidine (CID 19960246) is 4-[1-[[3,5-bis(trifluoromethyl)phenyl]methoxy]ethyl]-4-phenylpiperidine.
What is the SMILES notation for 4-[1-[[3,5-bis(trifluoromethyl)phenyl]methoxy]ethyl]-4-phenylpiperidine?
The canonical SMILES for 4-[1-[[3,5-bis(trifluoromethyl)phenyl]methoxy]ethyl]-4-phenylpiperidine is CC(OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1(c2ccccc2)CCNCC1.
What is the InChIKey of 4-[1-[[3,5-bis(trifluoromethyl)phenyl]methoxy]ethyl]-4-phenylpiperidine?
The InChIKey is QJILAJBFJZDXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F6NO/c1-15(20(7-9-29-10-8-20)17-5-3-2-4-6-17)30-14-16-11-18(21(23,24)25)13-19(12-16)22(26,27)28/h2-6,11-13,15,29H,7-10,14H2,1H3.
What are the key properties of 4-[1-[[3,5-bis(trifluoromethyl)phenyl]methoxy]ethyl]-4-phenylpiperidine?
4-[1-[[3,5-bis(trifluoromethyl)phenyl]methoxy]ethyl]-4-phenylpiperidine has a molecular weight of 431.42 g/mol, XLogP of 5.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[[3,5-bis(trifluoromethyl)phenyl]methoxy]ethyl]-4-phenylpiperidine is sourced from PubChem (CID 19960246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).