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

C29H29F6NO4 — CID 23373749

IUPAC[1-[(4-ethoxyphenyl)methyl]piperidin-4-yl]-bis[4-(trifluoromethoxy)phenyl]methanol
SMILESCCOc1ccc(CN2CCC(C(O)(c3ccc(OC(F)(F)F)cc3)c3ccc(OC(F)(F)F)cc3)CC2)cc1
InChIInChI=1S/C29H29F6NO4/c1-2-38-24-9-3-20(4-10-24)19-36-17-15-23(16-18-36)27(37,21-5-11-25(12-6-21)39-28(30,31)32)22-7-13-26(14-8-22)40-29(33,34)35/h3-14,23,37H,2,15-19H2,1H3
InChIKeyJZLVVYBWEMJOCI-UHFFFAOYSA-N
MW569.54 g/mol
LogP7.03
Rot. Bonds9

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

[1-[(4-ethoxyphenyl)methyl]piperidin-4-yl]-bis[4-(trifluoromethoxy)phenyl]methanol (PubChem CID 23373749) has the molecular formula C29H29F6NO4 and a molecular weight of 569.54 g/mol. Its IUPAC name is [1-[(4-ethoxyphenyl)methyl]piperidin-4-yl]-bis[4-(trifluoromethoxy)phenyl]methanol.

Molecular Properties

Compound Name[1-[(4-ethoxyphenyl)methyl]piperidin-4-yl]-bis[4-(trifluoromethoxy)phenyl]methanol
PubChem CID23373749
Molecular FormulaC29H29F6NO4
Molecular Weight569.54 g/mol
Exact Mass569.20
IUPAC Name[1-[(4-ethoxyphenyl)methyl]piperidin-4-yl]-bis[4-(trifluoromethoxy)phenyl]methanol
SMILESCCOc1ccc(CN2CCC(C(O)(c3ccc(OC(F)(F)F)cc3)c3ccc(OC(F)(F)F)cc3)CC2)cc1
InChIInChI=1S/C29H29F6NO4/c1-2-38-24-9-3-20(4-10-24)19-36-17-15-23(16-18-36)27(37,21-5-11-25(12-6-21)39-28(30,31)32)22-7-13-26(14-8-22)40-29(33,34)35/h3-14,23,37H,2,15-19H2,1H3
InChIKeyJZLVVYBWEMJOCI-UHFFFAOYSA-N
XLogP7.03
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.54
LogP ≤ 57.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[(4-aminophenyl)methyl]piperidin-4-yl]-bis[4-(trifluoromethoxy)phenyl]methanol
CID 19363752
[1-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]piperidin-4-yl]-bis[4-(trifluoromethoxy)phenyl]methanol
CID 11837560
[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-bis[4-(trifluoromethoxy)phenyl]methanol
CID 11837570
4-ethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidine
CID 118331263
(R)-(1-methylimidazol-2-yl)-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]methanol
CID 99639116
[1-[(4-pyrazin-2-yloxyphenyl)methyl]piperidin-4-yl]-bis[4-(trifluoromethyl)phenyl]methanol
CID 171984961
2-methoxy-2-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]acetic acid
CID 177337432
[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-diphenylmethanol
CID 4678685
(1-benzylpiperidin-4-yl)-bis(4-methylphenyl)methanol
CID 14698737
phenyl-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]methanol
CID 55625829
1,3-oxazol-2-yl-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]methanone
CID 23725431
(3S)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-3-ol
CID 26458695

Frequently Asked Questions

What is the IUPAC name of [1-[(4-ethoxyphenyl)methyl]piperidin-4-yl]-bis[4-(trifluoromethoxy)phenyl]methanol?
The IUPAC name of [1-[(4-ethoxyphenyl)methyl]piperidin-4-yl]-bis[4-(trifluoromethoxy)phenyl]methanol (CID 23373749) is [1-[(4-ethoxyphenyl)methyl]piperidin-4-yl]-bis[4-(trifluoromethoxy)phenyl]methanol.
What is the SMILES notation for [1-[(4-ethoxyphenyl)methyl]piperidin-4-yl]-bis[4-(trifluoromethoxy)phenyl]methanol?
The canonical SMILES for [1-[(4-ethoxyphenyl)methyl]piperidin-4-yl]-bis[4-(trifluoromethoxy)phenyl]methanol is CCOc1ccc(CN2CCC(C(O)(c3ccc(OC(F)(F)F)cc3)c3ccc(OC(F)(F)F)cc3)CC2)cc1.
What is the InChIKey of [1-[(4-ethoxyphenyl)methyl]piperidin-4-yl]-bis[4-(trifluoromethoxy)phenyl]methanol?
The InChIKey is JZLVVYBWEMJOCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29F6NO4/c1-2-38-24-9-3-20(4-10-24)19-36-17-15-23(16-18-36)27(37,21-5-11-25(12-6-21)39-28(30,31)32)22-7-13-26(14-8-22)40-29(33,34)35/h3-14,23,37H,2,15-19H2,1H3.
What are the key properties of [1-[(4-ethoxyphenyl)methyl]piperidin-4-yl]-bis[4-(trifluoromethoxy)phenyl]methanol?
[1-[(4-ethoxyphenyl)methyl]piperidin-4-yl]-bis[4-(trifluoromethoxy)phenyl]methanol has a molecular weight of 569.54 g/mol, XLogP of 7.03, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-ethoxyphenyl)methyl]piperidin-4-yl]-bis[4-(trifluoromethoxy)phenyl]methanol is sourced from PubChem (CID 23373749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).