2-[4-methyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidin-1-yl]ethanol

C13H27NO2 — CID 58365069

IUPAC2-[4-methyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidin-1-yl]ethanol
SMILESCC1(COC(C)(C)C)CCN(CCO)CC1
InChIInChI=1S/C13H27NO2/c1-12(2,3)16-11-13(4)5-7-14(8-6-13)9-10-15/h15H,5-11H2,1-4H3
InChIKeyBILRORDLENNRNB-UHFFFAOYSA-N
MW229.36 g/mol
LogP1.90
Rot. Bonds4

About 2-[4-methyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidin-1-yl]ethanol

2-[4-methyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidin-1-yl]ethanol (PubChem CID 58365069) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 2-[4-methyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-methyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidin-1-yl]ethanol
PubChem CID58365069
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name2-[4-methyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidin-1-yl]ethanol
SMILESCC1(COC(C)(C)C)CCN(CCO)CC1
InChIInChI=1S/C13H27NO2/c1-12(2,3)16-11-13(4)5-7-14(8-6-13)9-10-15/h15H,5-11H2,1-4H3
InChIKeyBILRORDLENNRNB-UHFFFAOYSA-N
XLogP1.90
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 ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-{2-Oxa-7-azaspiro[3.5]nonan-7-yl}ethan-1-ol
CID 130137841
2-[4-Fluoro-4-(propan-2-yloxymethyl)piperidin-1-yl]ethanol
CID 58303746
2-[4-Fluoro-4-(methoxymethyl)piperidin-1-yl]ethanol
CID 68321460
2-Methyl-5-(morpholin-4-yl)pentan-2-ol
CID 162400180
2-(4,4-Dimethylpiperidin-1-yl)ethanol
CID 18723046
4-(Ethoxymethyl)-1-methylpiperidin-3-ol
CID 20696750
4,4-Dimethyl-1-morpholin-4-ylpentan-2-ol
CID 20792989
1-[2-[(2-Methylpropan-2-yl)oxy]ethyl]piperidin-3-ol
CID 47811095
[1-(2-Propan-2-yloxyethyl)piperidin-4-yl]methanol
CID 52234727
2-(4-(Methoxymethyl)piperidin-1-yl)ethanol
CID 57580400
(3R,4S)-1-(2,2-dimethylpropyl)-4-methylpiperidine-3,4-diol
CID 57845689
(3R,4S)-4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine-3,4-diol
CID 57845722

Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidin-1-yl]ethanol?
The IUPAC name of 2-[4-methyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidin-1-yl]ethanol (CID 58365069) is 2-[4-methyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidin-1-yl]ethanol.
What is the SMILES notation for 2-[4-methyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidin-1-yl]ethanol?
The canonical SMILES for 2-[4-methyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidin-1-yl]ethanol is CC1(COC(C)(C)C)CCN(CCO)CC1.
What is the InChIKey of 2-[4-methyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidin-1-yl]ethanol?
The InChIKey is BILRORDLENNRNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-12(2,3)16-11-13(4)5-7-14(8-6-13)9-10-15/h15H,5-11H2,1-4H3.
What are the key properties of 2-[4-methyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidin-1-yl]ethanol?
2-[4-methyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidin-1-yl]ethanol has a molecular weight of 229.36 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidin-1-yl]ethanol is sourced from PubChem (CID 58365069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).