[1-[1-[(2,5-difluorophenyl)methyl]tetrazol-5-yl]-4-methoxypiperidin-4-yl]methanol

C15H19F2N5O2 — CID 136569420

IUPAC[1-[1-[(2,5-difluorophenyl)methyl]tetrazol-5-yl]-4-methoxypiperidin-4-yl]methanol
SMILESCOC1(CO)CCN(c2nnnn2Cc2cc(F)ccc2F)CC1
InChIInChI=1S/C15H19F2N5O2/c1-24-15(10-23)4-6-21(7-5-15)14-18-19-20-22(14)9-11-8-12(16)2-3-13(11)17/h2-3,8,23H,4-7,9-10H2,1H3
InChIKeyIJNXPEFQRNZHKZ-UHFFFAOYSA-N
MW339.35 g/mol
LogP0.98
Rot. Bonds5

About [1-[1-[(2,5-difluorophenyl)methyl]tetrazol-5-yl]-4-methoxypiperidin-4-yl]methanol

[1-[1-[(2,5-difluorophenyl)methyl]tetrazol-5-yl]-4-methoxypiperidin-4-yl]methanol (PubChem CID 136569420) has the molecular formula C15H19F2N5O2 and a molecular weight of 339.35 g/mol. Its IUPAC name is [1-[1-[(2,5-difluorophenyl)methyl]tetrazol-5-yl]-4-methoxypiperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[1-[(2,5-difluorophenyl)methyl]tetrazol-5-yl]-4-methoxypiperidin-4-yl]methanol
PubChem CID136569420
Molecular FormulaC15H19F2N5O2
Molecular Weight339.35 g/mol
Exact Mass339.15
IUPAC Name[1-[1-[(2,5-difluorophenyl)methyl]tetrazol-5-yl]-4-methoxypiperidin-4-yl]methanol
SMILESCOC1(CO)CCN(c2nnnn2Cc2cc(F)ccc2F)CC1
InChIInChI=1S/C15H19F2N5O2/c1-24-15(10-23)4-6-21(7-5-15)14-18-19-20-22(14)9-11-8-12(16)2-3-13(11)17/h2-3,8,23H,4-7,9-10H2,1H3
InChIKeyIJNXPEFQRNZHKZ-UHFFFAOYSA-N
XLogP0.98
TPSA76.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-[1-[(2,5-difluorophenyl)methyl]tetrazol-5-yl]-4-methoxypiperidin-4-yl]methanol?
The IUPAC name of [1-[1-[(2,5-difluorophenyl)methyl]tetrazol-5-yl]-4-methoxypiperidin-4-yl]methanol (CID 136569420) is [1-[1-[(2,5-difluorophenyl)methyl]tetrazol-5-yl]-4-methoxypiperidin-4-yl]methanol.
What is the SMILES notation for [1-[1-[(2,5-difluorophenyl)methyl]tetrazol-5-yl]-4-methoxypiperidin-4-yl]methanol?
The canonical SMILES for [1-[1-[(2,5-difluorophenyl)methyl]tetrazol-5-yl]-4-methoxypiperidin-4-yl]methanol is COC1(CO)CCN(c2nnnn2Cc2cc(F)ccc2F)CC1.
What is the InChIKey of [1-[1-[(2,5-difluorophenyl)methyl]tetrazol-5-yl]-4-methoxypiperidin-4-yl]methanol?
The InChIKey is IJNXPEFQRNZHKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N5O2/c1-24-15(10-23)4-6-21(7-5-15)14-18-19-20-22(14)9-11-8-12(16)2-3-13(11)17/h2-3,8,23H,4-7,9-10H2,1H3.
What are the key properties of [1-[1-[(2,5-difluorophenyl)methyl]tetrazol-5-yl]-4-methoxypiperidin-4-yl]methanol?
[1-[1-[(2,5-difluorophenyl)methyl]tetrazol-5-yl]-4-methoxypiperidin-4-yl]methanol has a molecular weight of 339.35 g/mol, XLogP of 0.98, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-[(2,5-difluorophenyl)methyl]tetrazol-5-yl]-4-methoxypiperidin-4-yl]methanol is sourced from PubChem (CID 136569420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).