[1-[1-[2-(2-methoxyphenyl)-2-methylpropyl]tetrazol-5-yl]piperidin-4-yl]methanol

C18H27N5O2 — CID 136569467

IUPAC[1-[1-[2-(2-methoxyphenyl)-2-methylpropyl]tetrazol-5-yl]piperidin-4-yl]methanol
SMILESCOc1ccccc1C(C)(C)Cn1nnnc1N1CCC(CO)CC1
InChIInChI=1S/C18H27N5O2/c1-18(2,15-6-4-5-7-16(15)25-3)13-23-17(19-20-21-23)22-10-8-14(12-24)9-11-22/h4-7,14,24H,8-13H2,1-3H3
InChIKeyISFZOULBIDNOCP-UHFFFAOYSA-N
MW345.45 g/mol
LogP1.87
Rot. Bonds6

About [1-[1-[2-(2-methoxyphenyl)-2-methylpropyl]tetrazol-5-yl]piperidin-4-yl]methanol

[1-[1-[2-(2-methoxyphenyl)-2-methylpropyl]tetrazol-5-yl]piperidin-4-yl]methanol (PubChem CID 136569467) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is [1-[1-[2-(2-methoxyphenyl)-2-methylpropyl]tetrazol-5-yl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[1-[2-(2-methoxyphenyl)-2-methylpropyl]tetrazol-5-yl]piperidin-4-yl]methanol
PubChem CID136569467
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC Name[1-[1-[2-(2-methoxyphenyl)-2-methylpropyl]tetrazol-5-yl]piperidin-4-yl]methanol
SMILESCOc1ccccc1C(C)(C)Cn1nnnc1N1CCC(CO)CC1
InChIInChI=1S/C18H27N5O2/c1-18(2,15-6-4-5-7-16(15)25-3)13-23-17(19-20-21-23)22-10-8-14(12-24)9-11-22/h4-7,14,24H,8-13H2,1-3H3
InChIKeyISFZOULBIDNOCP-UHFFFAOYSA-N
XLogP1.87
TPSA76.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-[1-[2-(2-methoxyphenyl)-2-methylpropyl]tetrazol-5-yl]piperidin-4-yl]methanol?
The IUPAC name of [1-[1-[2-(2-methoxyphenyl)-2-methylpropyl]tetrazol-5-yl]piperidin-4-yl]methanol (CID 136569467) is [1-[1-[2-(2-methoxyphenyl)-2-methylpropyl]tetrazol-5-yl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[1-[2-(2-methoxyphenyl)-2-methylpropyl]tetrazol-5-yl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[1-[2-(2-methoxyphenyl)-2-methylpropyl]tetrazol-5-yl]piperidin-4-yl]methanol is COc1ccccc1C(C)(C)Cn1nnnc1N1CCC(CO)CC1.
What is the InChIKey of [1-[1-[2-(2-methoxyphenyl)-2-methylpropyl]tetrazol-5-yl]piperidin-4-yl]methanol?
The InChIKey is ISFZOULBIDNOCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O2/c1-18(2,15-6-4-5-7-16(15)25-3)13-23-17(19-20-21-23)22-10-8-14(12-24)9-11-22/h4-7,14,24H,8-13H2,1-3H3.
What are the key properties of [1-[1-[2-(2-methoxyphenyl)-2-methylpropyl]tetrazol-5-yl]piperidin-4-yl]methanol?
[1-[1-[2-(2-methoxyphenyl)-2-methylpropyl]tetrazol-5-yl]piperidin-4-yl]methanol has a molecular weight of 345.45 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-[2-(2-methoxyphenyl)-2-methylpropyl]tetrazol-5-yl]piperidin-4-yl]methanol is sourced from PubChem (CID 136569467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).