1-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol

C22H24F3N5O2 — CID 3228825

IUPAC1-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
SMILESCOc1ccc(Cn2nnnc2CN2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)cc1
InChIInChI=1S/C22H24F3N5O2/c1-32-19-7-5-16(6-8-19)14-30-20(26-27-28-30)15-29-11-9-21(31,10-12-29)17-3-2-4-18(13-17)22(23,24)25/h2-8,13,31H,9-12,14-15H2,1H3
InChIKeyVTIQDNIOPCGDNG-UHFFFAOYSA-N
MW447.46 g/mol
LogP3.23
Rot. Bonds6

About 1-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol

1-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol (PubChem CID 3228825) has the molecular formula C22H24F3N5O2 and a molecular weight of 447.46 g/mol. Its IUPAC name is 1-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
PubChem CID3228825
Molecular FormulaC22H24F3N5O2
Molecular Weight447.46 g/mol
Exact Mass447.19
IUPAC Name1-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
SMILESCOc1ccc(Cn2nnnc2CN2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)cc1
InChIInChI=1S/C22H24F3N5O2/c1-32-19-7-5-16(6-8-19)14-30-20(26-27-28-30)15-29-11-9-21(31,10-12-29)17-3-2-4-18(13-17)22(23,24)25/h2-8,13,31H,9-12,14-15H2,1H3
InChIKeyVTIQDNIOPCGDNG-UHFFFAOYSA-N
XLogP3.23
TPSA76.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.46
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol?
The IUPAC name of 1-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol (CID 3228825) is 1-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol.
What is the SMILES notation for 1-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol?
The canonical SMILES for 1-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol is COc1ccc(Cn2nnnc2CN2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)cc1.
What is the InChIKey of 1-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol?
The InChIKey is VTIQDNIOPCGDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N5O2/c1-32-19-7-5-16(6-8-19)14-30-20(26-27-28-30)15-29-11-9-21(31,10-12-29)17-3-2-4-18(13-17)22(23,24)25/h2-8,13,31H,9-12,14-15H2,1H3.
What are the key properties of 1-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol?
1-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol has a molecular weight of 447.46 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol is sourced from PubChem (CID 3228825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).