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

C17H25N5O3 — CID 3228815

IUPAC1-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-(2-methoxyphenyl)piperidin-4-ol
SMILESCOCCn1nnnc1CN1CCC(O)(c2ccccc2OC)CC1
InChIInChI=1S/C17H25N5O3/c1-24-12-11-22-16(18-19-20-22)13-21-9-7-17(23,8-10-21)14-5-3-4-6-15(14)25-2/h3-6,23H,7-13H2,1-2H3
InChIKeyJPGSTPVSIZGKHI-UHFFFAOYSA-N
MW347.42 g/mol
LogP0.81
Rot. Bonds7

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

1-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-(2-methoxyphenyl)piperidin-4-ol (PubChem CID 3228815) has the molecular formula C17H25N5O3 and a molecular weight of 347.42 g/mol. Its IUPAC name is 1-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-(2-methoxyphenyl)piperidin-4-ol.

Molecular Properties

Compound Name1-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-(2-methoxyphenyl)piperidin-4-ol
PubChem CID3228815
Molecular FormulaC17H25N5O3
Molecular Weight347.42 g/mol
Exact Mass347.20
IUPAC Name1-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-(2-methoxyphenyl)piperidin-4-ol
SMILESCOCCn1nnnc1CN1CCC(O)(c2ccccc2OC)CC1
InChIInChI=1S/C17H25N5O3/c1-24-12-11-22-16(18-19-20-22)13-21-9-7-17(23,8-10-21)14-5-3-4-6-15(14)25-2/h3-6,23H,7-13H2,1-2H3
InChIKeyJPGSTPVSIZGKHI-UHFFFAOYSA-N
XLogP0.81
TPSA85.53 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-(2-methoxyphenyl)piperidin-4-ol?
The IUPAC name of 1-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-(2-methoxyphenyl)piperidin-4-ol (CID 3228815) is 1-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-(2-methoxyphenyl)piperidin-4-ol.
What is the SMILES notation for 1-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-(2-methoxyphenyl)piperidin-4-ol?
The canonical SMILES for 1-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-(2-methoxyphenyl)piperidin-4-ol is COCCn1nnnc1CN1CCC(O)(c2ccccc2OC)CC1.
What is the InChIKey of 1-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-(2-methoxyphenyl)piperidin-4-ol?
The InChIKey is JPGSTPVSIZGKHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O3/c1-24-12-11-22-16(18-19-20-22)13-21-9-7-17(23,8-10-21)14-5-3-4-6-15(14)25-2/h3-6,23H,7-13H2,1-2H3.
What are the key properties of 1-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-(2-methoxyphenyl)piperidin-4-ol?
1-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-(2-methoxyphenyl)piperidin-4-ol has a molecular weight of 347.42 g/mol, XLogP of 0.81, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-(2-methoxyphenyl)piperidin-4-ol is sourced from PubChem (CID 3228815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).