[3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-2-yl]methanol

C13H27NO2 — CID 84592983

IUPAC[3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-2-yl]methanol
SMILESCC1CCCN(CCOC(C)(C)C)C1CO
InChIInChI=1S/C13H27NO2/c1-11-6-5-7-14(12(11)10-15)8-9-16-13(2,3)4/h11-12,15H,5-10H2,1-4H3
InChIKeyKZYPVBJSAGRHSP-UHFFFAOYSA-N
MW229.36 g/mol
LogP1.89
Rot. Bonds4

About [3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-2-yl]methanol

[3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-2-yl]methanol (PubChem CID 84592983) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is [3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-2-yl]methanol.

Molecular Properties

Compound Name[3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-2-yl]methanol
PubChem CID84592983
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name[3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-2-yl]methanol
SMILESCC1CCCN(CCOC(C)(C)C)C1CO
InChIInChI=1S/C13H27NO2/c1-11-6-5-7-14(12(11)10-15)8-9-16-13(2,3)4/h11-12,15H,5-10H2,1-4H3
InChIKeyKZYPVBJSAGRHSP-UHFFFAOYSA-N
XLogP1.89
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-2-yl]methanol?
The IUPAC name of [3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-2-yl]methanol (CID 84592983) is [3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-2-yl]methanol.
What is the SMILES notation for [3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-2-yl]methanol?
The canonical SMILES for [3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-2-yl]methanol is CC1CCCN(CCOC(C)(C)C)C1CO.
What is the InChIKey of [3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-2-yl]methanol?
The InChIKey is KZYPVBJSAGRHSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-11-6-5-7-14(12(11)10-15)8-9-16-13(2,3)4/h11-12,15H,5-10H2,1-4H3.
What are the key properties of [3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-2-yl]methanol?
[3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-2-yl]methanol has a molecular weight of 229.36 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-2-yl]methanol is sourced from PubChem (CID 84592983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).