[2-(4-propan-2-yloxyphenyl)piperidin-4-yl]methanol

C15H23NO2 — CID 117000423

IUPAC[2-(4-propan-2-yloxyphenyl)piperidin-4-yl]methanol
SMILESCC(C)Oc1ccc(C2CC(CO)CCN2)cc1
InChIInChI=1S/C15H23NO2/c1-11(2)18-14-5-3-13(4-6-14)15-9-12(10-17)7-8-16-15/h3-6,11-12,15-17H,7-10H2,1-2H3
InChIKeyXWHRAXQIAHJXKZ-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.51
Rot. Bonds4

About [2-(4-propan-2-yloxyphenyl)piperidin-4-yl]methanol

[2-(4-propan-2-yloxyphenyl)piperidin-4-yl]methanol (PubChem CID 117000423) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is [2-(4-propan-2-yloxyphenyl)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[2-(4-propan-2-yloxyphenyl)piperidin-4-yl]methanol
PubChem CID117000423
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name[2-(4-propan-2-yloxyphenyl)piperidin-4-yl]methanol
SMILESCC(C)Oc1ccc(C2CC(CO)CCN2)cc1
InChIInChI=1S/C15H23NO2/c1-11(2)18-14-5-3-13(4-6-14)15-9-12(10-17)7-8-16-15/h3-6,11-12,15-17H,7-10H2,1-2H3
InChIKeyXWHRAXQIAHJXKZ-UHFFFAOYSA-N
XLogP2.51
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(4-propan-2-yloxyphenyl)piperidin-4-yl]methanol?
The IUPAC name of [2-(4-propan-2-yloxyphenyl)piperidin-4-yl]methanol (CID 117000423) is [2-(4-propan-2-yloxyphenyl)piperidin-4-yl]methanol.
What is the SMILES notation for [2-(4-propan-2-yloxyphenyl)piperidin-4-yl]methanol?
The canonical SMILES for [2-(4-propan-2-yloxyphenyl)piperidin-4-yl]methanol is CC(C)Oc1ccc(C2CC(CO)CCN2)cc1.
What is the InChIKey of [2-(4-propan-2-yloxyphenyl)piperidin-4-yl]methanol?
The InChIKey is XWHRAXQIAHJXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-11(2)18-14-5-3-13(4-6-14)15-9-12(10-17)7-8-16-15/h3-6,11-12,15-17H,7-10H2,1-2H3.
What are the key properties of [2-(4-propan-2-yloxyphenyl)piperidin-4-yl]methanol?
[2-(4-propan-2-yloxyphenyl)piperidin-4-yl]methanol has a molecular weight of 249.35 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-propan-2-yloxyphenyl)piperidin-4-yl]methanol is sourced from PubChem (CID 117000423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).