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

C22H27N5O2 — CID 644424

IUPAC4-(4-methoxyphenyl)-1-[[1-[(4-methylphenyl)methyl]tetrazol-5-yl]methyl]piperidin-4-ol
SMILESCOc1ccc(C2(O)CCN(Cc3nnnn3Cc3ccc(C)cc3)CC2)cc1
InChIInChI=1S/C22H27N5O2/c1-17-3-5-18(6-4-17)15-27-21(23-24-25-27)16-26-13-11-22(28,12-14-26)19-7-9-20(29-2)10-8-19/h3-10,28H,11-16H2,1-2H3
InChIKeyUIKMJSWJHAWQAD-UHFFFAOYSA-N
MW393.49 g/mol
LogP2.52
Rot. Bonds6

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

4-(4-methoxyphenyl)-1-[[1-[(4-methylphenyl)methyl]tetrazol-5-yl]methyl]piperidin-4-ol (PubChem CID 644424) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-1-[[1-[(4-methylphenyl)methyl]tetrazol-5-yl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-1-[[1-[(4-methylphenyl)methyl]tetrazol-5-yl]methyl]piperidin-4-ol
PubChem CID644424
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC Name4-(4-methoxyphenyl)-1-[[1-[(4-methylphenyl)methyl]tetrazol-5-yl]methyl]piperidin-4-ol
SMILESCOc1ccc(C2(O)CCN(Cc3nnnn3Cc3ccc(C)cc3)CC2)cc1
InChIInChI=1S/C22H27N5O2/c1-17-3-5-18(6-4-17)15-27-21(23-24-25-27)16-26-13-11-22(28,12-14-26)19-7-9-20(29-2)10-8-19/h3-10,28H,11-16H2,1-2H3
InChIKeyUIKMJSWJHAWQAD-UHFFFAOYSA-N
XLogP2.52
TPSA76.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-1-[[1-[(4-methylphenyl)methyl]tetrazol-5-yl]methyl]piperidin-4-ol?
The IUPAC name of 4-(4-methoxyphenyl)-1-[[1-[(4-methylphenyl)methyl]tetrazol-5-yl]methyl]piperidin-4-ol (CID 644424) is 4-(4-methoxyphenyl)-1-[[1-[(4-methylphenyl)methyl]tetrazol-5-yl]methyl]piperidin-4-ol.
What is the SMILES notation for 4-(4-methoxyphenyl)-1-[[1-[(4-methylphenyl)methyl]tetrazol-5-yl]methyl]piperidin-4-ol?
The canonical SMILES for 4-(4-methoxyphenyl)-1-[[1-[(4-methylphenyl)methyl]tetrazol-5-yl]methyl]piperidin-4-ol is COc1ccc(C2(O)CCN(Cc3nnnn3Cc3ccc(C)cc3)CC2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-1-[[1-[(4-methylphenyl)methyl]tetrazol-5-yl]methyl]piperidin-4-ol?
The InChIKey is UIKMJSWJHAWQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2/c1-17-3-5-18(6-4-17)15-27-21(23-24-25-27)16-26-13-11-22(28,12-14-26)19-7-9-20(29-2)10-8-19/h3-10,28H,11-16H2,1-2H3.
What are the key properties of 4-(4-methoxyphenyl)-1-[[1-[(4-methylphenyl)methyl]tetrazol-5-yl]methyl]piperidin-4-ol?
4-(4-methoxyphenyl)-1-[[1-[(4-methylphenyl)methyl]tetrazol-5-yl]methyl]piperidin-4-ol has a molecular weight of 393.49 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-1-[[1-[(4-methylphenyl)methyl]tetrazol-5-yl]methyl]piperidin-4-ol is sourced from PubChem (CID 644424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).