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

C20H21F2N5O — CID 3228821

IUPAC4-(2-fluorophenyl)-1-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperidin-4-ol
SMILESOC1(c2ccccc2F)CCN(Cc2nnnn2Cc2ccc(F)cc2)CC1
InChIInChI=1S/C20H21F2N5O/c21-16-7-5-15(6-8-16)13-27-19(23-24-25-27)14-26-11-9-20(28,10-12-26)17-3-1-2-4-18(17)22/h1-8,28H,9-14H2
InChIKeyAZFSNZNFKGWZBM-UHFFFAOYSA-N
MW385.42 g/mol
LogP2.48
Rot. Bonds5

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

4-(2-fluorophenyl)-1-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperidin-4-ol (PubChem CID 3228821) has the molecular formula C20H21F2N5O and a molecular weight of 385.42 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-1-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name4-(2-fluorophenyl)-1-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperidin-4-ol
PubChem CID3228821
Molecular FormulaC20H21F2N5O
Molecular Weight385.42 g/mol
Exact Mass385.17
IUPAC Name4-(2-fluorophenyl)-1-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperidin-4-ol
SMILESOC1(c2ccccc2F)CCN(Cc2nnnn2Cc2ccc(F)cc2)CC1
InChIInChI=1S/C20H21F2N5O/c21-16-7-5-15(6-8-16)13-27-19(23-24-25-27)14-26-11-9-20(28,10-12-26)17-3-1-2-4-18(17)22/h1-8,28H,9-14H2
InChIKeyAZFSNZNFKGWZBM-UHFFFAOYSA-N
XLogP2.48
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 52.48
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-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperidin-4-ol?
The IUPAC name of 4-(2-fluorophenyl)-1-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperidin-4-ol (CID 3228821) is 4-(2-fluorophenyl)-1-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperidin-4-ol.
What is the SMILES notation for 4-(2-fluorophenyl)-1-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperidin-4-ol?
The canonical SMILES for 4-(2-fluorophenyl)-1-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperidin-4-ol is OC1(c2ccccc2F)CCN(Cc2nnnn2Cc2ccc(F)cc2)CC1.
What is the InChIKey of 4-(2-fluorophenyl)-1-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperidin-4-ol?
The InChIKey is AZFSNZNFKGWZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N5O/c21-16-7-5-15(6-8-16)13-27-19(23-24-25-27)14-26-11-9-20(28,10-12-26)17-3-1-2-4-18(17)22/h1-8,28H,9-14H2.
What are the key properties of 4-(2-fluorophenyl)-1-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperidin-4-ol?
4-(2-fluorophenyl)-1-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperidin-4-ol has a molecular weight of 385.42 g/mol, XLogP of 2.48, 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-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperidin-4-ol is sourced from PubChem (CID 3228821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).