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

C21H21F4N5O — CID 3229250

IUPAC1-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-[3-(trifluoromethyl)phenyl]methyl]piperidin-4-ol
SMILESOC1CCN(C(c2cccc(C(F)(F)F)c2)c2nnnn2Cc2ccc(F)cc2)CC1
InChIInChI=1S/C21H21F4N5O/c22-17-6-4-14(5-7-17)13-30-20(26-27-28-30)19(29-10-8-18(31)9-11-29)15-2-1-3-16(12-15)21(23,24)25/h1-7,12,18-19,31H,8-11,13H2
InChIKeyIFUDZORMBGWUNN-UHFFFAOYSA-N
MW435.43 g/mol
LogP3.43
Rot. Bonds5

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

1-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-[3-(trifluoromethyl)phenyl]methyl]piperidin-4-ol (PubChem CID 3229250) has the molecular formula C21H21F4N5O and a molecular weight of 435.43 g/mol. Its IUPAC name is 1-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-[3-(trifluoromethyl)phenyl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-[3-(trifluoromethyl)phenyl]methyl]piperidin-4-ol
PubChem CID3229250
Molecular FormulaC21H21F4N5O
Molecular Weight435.43 g/mol
Exact Mass435.17
IUPAC Name1-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-[3-(trifluoromethyl)phenyl]methyl]piperidin-4-ol
SMILESOC1CCN(C(c2cccc(C(F)(F)F)c2)c2nnnn2Cc2ccc(F)cc2)CC1
InChIInChI=1S/C21H21F4N5O/c22-17-6-4-14(5-7-17)13-30-20(26-27-28-30)19(29-10-8-18(31)9-11-29)15-2-1-3-16(12-15)21(23,24)25/h1-7,12,18-19,31H,8-11,13H2
InChIKeyIFUDZORMBGWUNN-UHFFFAOYSA-N
XLogP3.43
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.43
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-[3-(trifluoromethyl)phenyl]methyl]piperidin-4-ol?
The IUPAC name of 1-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-[3-(trifluoromethyl)phenyl]methyl]piperidin-4-ol (CID 3229250) is 1-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-[3-(trifluoromethyl)phenyl]methyl]piperidin-4-ol.
What is the SMILES notation for 1-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-[3-(trifluoromethyl)phenyl]methyl]piperidin-4-ol?
The canonical SMILES for 1-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-[3-(trifluoromethyl)phenyl]methyl]piperidin-4-ol is OC1CCN(C(c2cccc(C(F)(F)F)c2)c2nnnn2Cc2ccc(F)cc2)CC1.
What is the InChIKey of 1-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-[3-(trifluoromethyl)phenyl]methyl]piperidin-4-ol?
The InChIKey is IFUDZORMBGWUNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F4N5O/c22-17-6-4-14(5-7-17)13-30-20(26-27-28-30)19(29-10-8-18(31)9-11-29)15-2-1-3-16(12-15)21(23,24)25/h1-7,12,18-19,31H,8-11,13H2.
What are the key properties of 1-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-[3-(trifluoromethyl)phenyl]methyl]piperidin-4-ol?
1-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-[3-(trifluoromethyl)phenyl]methyl]piperidin-4-ol has a molecular weight of 435.43 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-[3-(trifluoromethyl)phenyl]methyl]piperidin-4-ol is sourced from PubChem (CID 3229250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).