1-propan-2-yl-4-(propan-2-yloxymethyl)piperidin-4-ol

C12H25NO2 — CID 79567229

IUPAC1-propan-2-yl-4-(propan-2-yloxymethyl)piperidin-4-ol
SMILESCC(C)OCC1(O)CCN(C(C)C)CC1
InChIInChI=1S/C12H25NO2/c1-10(2)13-7-5-12(14,6-8-13)9-15-11(3)4/h10-11,14H,5-9H2,1-4H3
InChIKeyNBORQBKEVNUMTK-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.65
Rot. Bonds4

About 1-propan-2-yl-4-(propan-2-yloxymethyl)piperidin-4-ol

1-propan-2-yl-4-(propan-2-yloxymethyl)piperidin-4-ol (PubChem CID 79567229) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 1-propan-2-yl-4-(propan-2-yloxymethyl)piperidin-4-ol.

Molecular Properties

Compound Name1-propan-2-yl-4-(propan-2-yloxymethyl)piperidin-4-ol
PubChem CID79567229
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name1-propan-2-yl-4-(propan-2-yloxymethyl)piperidin-4-ol
SMILESCC(C)OCC1(O)CCN(C(C)C)CC1
InChIInChI=1S/C12H25NO2/c1-10(2)13-7-5-12(14,6-8-13)9-15-11(3)4/h10-11,14H,5-9H2,1-4H3
InChIKeyNBORQBKEVNUMTK-UHFFFAOYSA-N
XLogP1.65
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-hydroxy-1-propan-2-ylpiperidin-4-yl)methyl hypoiodite
CID 155039158
4-(methylaminomethyl)-1-propan-2-ylpiperidin-4-ol
CID 39237893
2-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)acetic acid
CID 62395408
3-(hydroxymethyl)-1-propan-2-ylpyrrolidin-3-ol
CID 82713423
4-nonyl-1-propan-2-ylpiperidin-4-ol
CID 65146910
4-(2-cyclopropylethyl)-1-propan-2-ylpiperidin-4-ol
CID 106590391
4-amino-1-(propan-2-yloxymethyl)cyclohexan-1-ol
CID 59401509
3,3,5,5-tetramethyl-1-(propan-2-yloxymethyl)cyclohexan-1-ol
CID 112682700
8-propan-2-yl-3-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-8-azaspiro[4.5]decane
CID 169289993
1-propan-2-yl-4-prop-2-enylazepan-4-ol
CID 79734491
3-(2-aminoethyl)-1-propan-2-ylpyrrolidin-3-ol
CID 82503311
3-methyl-1-(propan-2-yloxymethyl)cyclopentan-1-ol
CID 79568095

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-4-(propan-2-yloxymethyl)piperidin-4-ol?
The IUPAC name of 1-propan-2-yl-4-(propan-2-yloxymethyl)piperidin-4-ol (CID 79567229) is 1-propan-2-yl-4-(propan-2-yloxymethyl)piperidin-4-ol.
What is the SMILES notation for 1-propan-2-yl-4-(propan-2-yloxymethyl)piperidin-4-ol?
The canonical SMILES for 1-propan-2-yl-4-(propan-2-yloxymethyl)piperidin-4-ol is CC(C)OCC1(O)CCN(C(C)C)CC1.
What is the InChIKey of 1-propan-2-yl-4-(propan-2-yloxymethyl)piperidin-4-ol?
The InChIKey is NBORQBKEVNUMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-10(2)13-7-5-12(14,6-8-13)9-15-11(3)4/h10-11,14H,5-9H2,1-4H3.
What are the key properties of 1-propan-2-yl-4-(propan-2-yloxymethyl)piperidin-4-ol?
1-propan-2-yl-4-(propan-2-yloxymethyl)piperidin-4-ol has a molecular weight of 215.34 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-4-(propan-2-yloxymethyl)piperidin-4-ol is sourced from PubChem (CID 79567229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).