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

C17H25N5O3 — CID 136569393

IUPAC[4-methoxy-1-[1-[2-(2-methoxyphenyl)ethyl]tetrazol-5-yl]piperidin-4-yl]methanol
SMILESCOc1ccccc1CCn1nnnc1N1CCC(CO)(OC)CC1
InChIInChI=1S/C17H25N5O3/c1-24-15-6-4-3-5-14(15)7-10-22-16(18-19-20-22)21-11-8-17(13-23,25-2)9-12-21/h3-6,23H,7-13H2,1-2H3
InChIKeyUBUJDWMWKONLFM-UHFFFAOYSA-N
MW347.42 g/mol
LogP0.90
Rot. Bonds7

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

[4-methoxy-1-[1-[2-(2-methoxyphenyl)ethyl]tetrazol-5-yl]piperidin-4-yl]methanol (PubChem CID 136569393) has the molecular formula C17H25N5O3 and a molecular weight of 347.42 g/mol. Its IUPAC name is [4-methoxy-1-[1-[2-(2-methoxyphenyl)ethyl]tetrazol-5-yl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[4-methoxy-1-[1-[2-(2-methoxyphenyl)ethyl]tetrazol-5-yl]piperidin-4-yl]methanol
PubChem CID136569393
Molecular FormulaC17H25N5O3
Molecular Weight347.42 g/mol
Exact Mass347.20
IUPAC Name[4-methoxy-1-[1-[2-(2-methoxyphenyl)ethyl]tetrazol-5-yl]piperidin-4-yl]methanol
SMILESCOc1ccccc1CCn1nnnc1N1CCC(CO)(OC)CC1
InChIInChI=1S/C17H25N5O3/c1-24-15-6-4-3-5-14(15)7-10-22-16(18-19-20-22)21-11-8-17(13-23,25-2)9-12-21/h3-6,23H,7-13H2,1-2H3
InChIKeyUBUJDWMWKONLFM-UHFFFAOYSA-N
XLogP0.90
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 ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [4-methoxy-1-[1-[2-(2-methoxyphenyl)ethyl]tetrazol-5-yl]piperidin-4-yl]methanol?
The IUPAC name of [4-methoxy-1-[1-[2-(2-methoxyphenyl)ethyl]tetrazol-5-yl]piperidin-4-yl]methanol (CID 136569393) is [4-methoxy-1-[1-[2-(2-methoxyphenyl)ethyl]tetrazol-5-yl]piperidin-4-yl]methanol.
What is the SMILES notation for [4-methoxy-1-[1-[2-(2-methoxyphenyl)ethyl]tetrazol-5-yl]piperidin-4-yl]methanol?
The canonical SMILES for [4-methoxy-1-[1-[2-(2-methoxyphenyl)ethyl]tetrazol-5-yl]piperidin-4-yl]methanol is COc1ccccc1CCn1nnnc1N1CCC(CO)(OC)CC1.
What is the InChIKey of [4-methoxy-1-[1-[2-(2-methoxyphenyl)ethyl]tetrazol-5-yl]piperidin-4-yl]methanol?
The InChIKey is UBUJDWMWKONLFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O3/c1-24-15-6-4-3-5-14(15)7-10-22-16(18-19-20-22)21-11-8-17(13-23,25-2)9-12-21/h3-6,23H,7-13H2,1-2H3.
What are the key properties of [4-methoxy-1-[1-[2-(2-methoxyphenyl)ethyl]tetrazol-5-yl]piperidin-4-yl]methanol?
[4-methoxy-1-[1-[2-(2-methoxyphenyl)ethyl]tetrazol-5-yl]piperidin-4-yl]methanol has a molecular weight of 347.42 g/mol, XLogP of 0.90, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methoxy-1-[1-[2-(2-methoxyphenyl)ethyl]tetrazol-5-yl]piperidin-4-yl]methanol is sourced from PubChem (CID 136569393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).