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

C21H24FN5O2 — CID 3228824

IUPAC4-(4-fluorophenyl)-1-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]piperidin-4-ol
SMILESCOc1ccc(Cn2nnnc2CN2CCC(O)(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C21H24FN5O2/c1-29-19-8-2-16(3-9-19)14-27-20(23-24-25-27)15-26-12-10-21(28,11-13-26)17-4-6-18(22)7-5-17/h2-9,28H,10-15H2,1H3
InChIKeyLTQSMXDCQOOMIT-UHFFFAOYSA-N
MW397.45 g/mol
LogP2.35
Rot. Bonds6

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

4-(4-fluorophenyl)-1-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]piperidin-4-ol (PubChem CID 3228824) has the molecular formula C21H24FN5O2 and a molecular weight of 397.45 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-1-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name4-(4-fluorophenyl)-1-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]piperidin-4-ol
PubChem CID3228824
Molecular FormulaC21H24FN5O2
Molecular Weight397.45 g/mol
Exact Mass397.19
IUPAC Name4-(4-fluorophenyl)-1-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]piperidin-4-ol
SMILESCOc1ccc(Cn2nnnc2CN2CCC(O)(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C21H24FN5O2/c1-29-19-8-2-16(3-9-19)14-27-20(23-24-25-27)15-26-12-10-21(28,11-13-26)17-4-6-18(22)7-5-17/h2-9,28H,10-15H2,1H3
InChIKeyLTQSMXDCQOOMIT-UHFFFAOYSA-N
XLogP2.35
TPSA76.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-1-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]piperidin-4-ol?
The IUPAC name of 4-(4-fluorophenyl)-1-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]piperidin-4-ol (CID 3228824) is 4-(4-fluorophenyl)-1-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]piperidin-4-ol.
What is the SMILES notation for 4-(4-fluorophenyl)-1-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]piperidin-4-ol?
The canonical SMILES for 4-(4-fluorophenyl)-1-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]piperidin-4-ol is COc1ccc(Cn2nnnc2CN2CCC(O)(c3ccc(F)cc3)CC2)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-1-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]piperidin-4-ol?
The InChIKey is LTQSMXDCQOOMIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN5O2/c1-29-19-8-2-16(3-9-19)14-27-20(23-24-25-27)15-26-12-10-21(28,11-13-26)17-4-6-18(22)7-5-17/h2-9,28H,10-15H2,1H3.
What are the key properties of 4-(4-fluorophenyl)-1-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]piperidin-4-ol?
4-(4-fluorophenyl)-1-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]piperidin-4-ol has a molecular weight of 397.45 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-1-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]piperidin-4-ol is sourced from PubChem (CID 3228824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).