1-[(3-ethoxyphenyl)methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperidine

C22H26F3NO — CID 42691442

IUPAC1-[(3-ethoxyphenyl)methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperidine
SMILESCCOc1cccc(CN2CCC(Cc3ccc(C(F)(F)F)cc3)CC2)c1
InChIInChI=1S/C22H26F3NO/c1-2-27-21-5-3-4-19(15-21)16-26-12-10-18(11-13-26)14-17-6-8-20(9-7-17)22(23,24)25/h3-9,15,18H,2,10-14,16H2,1H3
InChIKeyAKCHNMKWBWTQAB-UHFFFAOYSA-N
MW377.45 g/mol
LogP5.56
Rot. Bonds6

About 1-[(3-ethoxyphenyl)methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperidine

1-[(3-ethoxyphenyl)methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperidine (PubChem CID 42691442) has the molecular formula C22H26F3NO and a molecular weight of 377.45 g/mol. Its IUPAC name is 1-[(3-ethoxyphenyl)methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperidine.

Molecular Properties

Compound Name1-[(3-ethoxyphenyl)methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperidine
PubChem CID42691442
Molecular FormulaC22H26F3NO
Molecular Weight377.45 g/mol
Exact Mass377.20
IUPAC Name1-[(3-ethoxyphenyl)methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperidine
SMILESCCOc1cccc(CN2CCC(Cc3ccc(C(F)(F)F)cc3)CC2)c1
InChIInChI=1S/C22H26F3NO/c1-2-27-21-5-3-4-19(15-21)16-26-12-10-18(11-13-26)14-17-6-8-20(9-7-17)22(23,24)25/h3-9,15,18H,2,10-14,16H2,1H3
InChIKeyAKCHNMKWBWTQAB-UHFFFAOYSA-N
XLogP5.56
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.45
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-benzyl-1-[2-[3-(trifluoromethyl)phenoxy]ethyl]piperidine
CID 23294464
(3S)-1-[(3-ethoxyphenyl)methyl]pyrrolidin-3-ol
CID 103882936
3-ethoxy-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 55945762
4-[(4-benzylpiperidin-1-yl)methyl]-2-ethoxyphenol
CID 3441291
[1-[(3-propoxyphenyl)methyl]piperidin-4-yl]methanol
CID 54794443
1-[(4-ethoxyphenyl)methyl]-4-[(3-methoxyphenyl)methyl]piperazine
CID 2168286
2-[1-[(3-ethoxyphenyl)methyl]piperidin-4-yl]oxyacetic acid
CID 65065761
2-(4-ethoxyphenoxy)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide
CID 86812682
[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanamine
CID 55209715
1-[(3-ethoxyphenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120781917
4-[(4-benzylpiperidin-1-yl)methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 42850871
1-[(3-ethoxyphenyl)methyl]-N,N-diethylpiperidine-4-carboxamide
CID 43918618

Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethoxyphenyl)methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperidine?
The IUPAC name of 1-[(3-ethoxyphenyl)methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperidine (CID 42691442) is 1-[(3-ethoxyphenyl)methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperidine.
What is the SMILES notation for 1-[(3-ethoxyphenyl)methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperidine?
The canonical SMILES for 1-[(3-ethoxyphenyl)methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperidine is CCOc1cccc(CN2CCC(Cc3ccc(C(F)(F)F)cc3)CC2)c1.
What is the InChIKey of 1-[(3-ethoxyphenyl)methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperidine?
The InChIKey is AKCHNMKWBWTQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F3NO/c1-2-27-21-5-3-4-19(15-21)16-26-12-10-18(11-13-26)14-17-6-8-20(9-7-17)22(23,24)25/h3-9,15,18H,2,10-14,16H2,1H3.
What are the key properties of 1-[(3-ethoxyphenyl)methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperidine?
1-[(3-ethoxyphenyl)methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperidine has a molecular weight of 377.45 g/mol, XLogP of 5.56, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethoxyphenyl)methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperidine is sourced from PubChem (CID 42691442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).