4-(2-fluorophenyl)-1-[[1-[(4-methylphenyl)methyl]tetrazol-5-yl]methyl]piperidin-4-ol

C21H24FN5O — CID 644691

IUPAC4-(2-fluorophenyl)-1-[[1-[(4-methylphenyl)methyl]tetrazol-5-yl]methyl]piperidin-4-ol
SMILESCc1ccc(Cn2nnnc2CN2CCC(O)(c3ccccc3F)CC2)cc1
InChIInChI=1S/C21H24FN5O/c1-16-6-8-17(9-7-16)14-27-20(23-24-25-27)15-26-12-10-21(28,11-13-26)18-4-2-3-5-19(18)22/h2-9,28H,10-15H2,1H3
InChIKeyWIHVICCEAHUTQB-UHFFFAOYSA-N
MW381.46 g/mol
LogP2.65
Rot. Bonds5

About 4-(2-fluorophenyl)-1-[[1-[(4-methylphenyl)methyl]tetrazol-5-yl]methyl]piperidin-4-ol

4-(2-fluorophenyl)-1-[[1-[(4-methylphenyl)methyl]tetrazol-5-yl]methyl]piperidin-4-ol (PubChem CID 644691) has the molecular formula C21H24FN5O and a molecular weight of 381.46 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-1-[[1-[(4-methylphenyl)methyl]tetrazol-5-yl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name4-(2-fluorophenyl)-1-[[1-[(4-methylphenyl)methyl]tetrazol-5-yl]methyl]piperidin-4-ol
PubChem CID644691
Molecular FormulaC21H24FN5O
Molecular Weight381.46 g/mol
Exact Mass381.20
IUPAC Name4-(2-fluorophenyl)-1-[[1-[(4-methylphenyl)methyl]tetrazol-5-yl]methyl]piperidin-4-ol
SMILESCc1ccc(Cn2nnnc2CN2CCC(O)(c3ccccc3F)CC2)cc1
InChIInChI=1S/C21H24FN5O/c1-16-6-8-17(9-7-16)14-27-20(23-24-25-27)15-26-12-10-21(28,11-13-26)18-4-2-3-5-19(18)22/h2-9,28H,10-15H2,1H3
InChIKeyWIHVICCEAHUTQB-UHFFFAOYSA-N
XLogP2.65
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-1-[[1-[(4-methylphenyl)methyl]tetrazol-5-yl]methyl]piperidin-4-ol?
The IUPAC name of 4-(2-fluorophenyl)-1-[[1-[(4-methylphenyl)methyl]tetrazol-5-yl]methyl]piperidin-4-ol (CID 644691) is 4-(2-fluorophenyl)-1-[[1-[(4-methylphenyl)methyl]tetrazol-5-yl]methyl]piperidin-4-ol.
What is the SMILES notation for 4-(2-fluorophenyl)-1-[[1-[(4-methylphenyl)methyl]tetrazol-5-yl]methyl]piperidin-4-ol?
The canonical SMILES for 4-(2-fluorophenyl)-1-[[1-[(4-methylphenyl)methyl]tetrazol-5-yl]methyl]piperidin-4-ol is Cc1ccc(Cn2nnnc2CN2CCC(O)(c3ccccc3F)CC2)cc1.
What is the InChIKey of 4-(2-fluorophenyl)-1-[[1-[(4-methylphenyl)methyl]tetrazol-5-yl]methyl]piperidin-4-ol?
The InChIKey is WIHVICCEAHUTQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN5O/c1-16-6-8-17(9-7-16)14-27-20(23-24-25-27)15-26-12-10-21(28,11-13-26)18-4-2-3-5-19(18)22/h2-9,28H,10-15H2,1H3.
What are the key properties of 4-(2-fluorophenyl)-1-[[1-[(4-methylphenyl)methyl]tetrazol-5-yl]methyl]piperidin-4-ol?
4-(2-fluorophenyl)-1-[[1-[(4-methylphenyl)methyl]tetrazol-5-yl]methyl]piperidin-4-ol has a molecular weight of 381.46 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-1-[[1-[(4-methylphenyl)methyl]tetrazol-5-yl]methyl]piperidin-4-ol is sourced from PubChem (CID 644691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).