[3-[(2-ethylpiperidin-1-yl)methyl]oxetan-3-yl]methanol

C12H23NO2 — CID 111976477

IUPAC[3-[(2-ethylpiperidin-1-yl)methyl]oxetan-3-yl]methanol
SMILESCCC1CCCCN1CC1(CO)COC1
InChIInChI=1S/C12H23NO2/c1-2-11-5-3-4-6-13(11)7-12(8-14)9-15-10-12/h11,14H,2-10H2,1H3
InChIKeySXJIMXJYLBUXNI-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.26
Rot. Bonds4

About [3-[(2-ethylpiperidin-1-yl)methyl]oxetan-3-yl]methanol

[3-[(2-ethylpiperidin-1-yl)methyl]oxetan-3-yl]methanol (PubChem CID 111976477) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is [3-[(2-ethylpiperidin-1-yl)methyl]oxetan-3-yl]methanol.

Molecular Properties

Compound Name[3-[(2-ethylpiperidin-1-yl)methyl]oxetan-3-yl]methanol
PubChem CID111976477
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name[3-[(2-ethylpiperidin-1-yl)methyl]oxetan-3-yl]methanol
SMILESCCC1CCCCN1CC1(CO)COC1
InChIInChI=1S/C12H23NO2/c1-2-11-5-3-4-6-13(11)7-12(8-14)9-15-10-12/h11,14H,2-10H2,1H3
InChIKeySXJIMXJYLBUXNI-UHFFFAOYSA-N
XLogP1.26
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(2-propylpiperidin-1-yl)methyl]oxan-4-yl]methanol
CID 83062160
[1-[[4-(hydroxymethyl)oxan-4-yl]methyl]azepan-2-yl]methanol
CID 116638263
1-[3-[(2-ethylazepan-1-yl)methyl]oxan-3-yl]-N-methylmethanamine
CID 104691941
N-[[3-[(2-ethylazepan-1-yl)methyl]oxolan-3-yl]methyl]-2-methylpropan-1-amine
CID 104691962
N-[[3-[(2-ethylpiperidin-1-yl)methyl]oxan-3-yl]methyl]-2-methylpropan-2-amine
CID 63739412
1-[[1-(bromomethyl)cyclohexyl]methyl]-2-ethylazepane
CID 104691341
N-[[3-[(2-ethylpyrrolidin-1-yl)methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine
CID 62278171
1-[4-[(2-ethylpyrrolidin-1-yl)methyl]oxan-4-yl]-N-methylmethanamine
CID 62392836
2-[1-[[3-(hydroxymethyl)oxetan-3-yl]methyl]pyrrolidin-2-yl]cyclohexan-1-ol
CID 128965505
[3-[[(2R)-2-(4-propan-2-ylphenyl)piperidin-1-yl]methyl]oxetan-3-yl]methanol
CID 97329788
1,2-diethylpiperidine
CID 19604037
N-[[3-[(2-ethylpyrrolidin-1-yl)methyl]oxan-3-yl]methyl]propan-1-amine
CID 55242233

Frequently Asked Questions

What is the IUPAC name of [3-[(2-ethylpiperidin-1-yl)methyl]oxetan-3-yl]methanol?
The IUPAC name of [3-[(2-ethylpiperidin-1-yl)methyl]oxetan-3-yl]methanol (CID 111976477) is [3-[(2-ethylpiperidin-1-yl)methyl]oxetan-3-yl]methanol.
What is the SMILES notation for [3-[(2-ethylpiperidin-1-yl)methyl]oxetan-3-yl]methanol?
The canonical SMILES for [3-[(2-ethylpiperidin-1-yl)methyl]oxetan-3-yl]methanol is CCC1CCCCN1CC1(CO)COC1.
What is the InChIKey of [3-[(2-ethylpiperidin-1-yl)methyl]oxetan-3-yl]methanol?
The InChIKey is SXJIMXJYLBUXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-2-11-5-3-4-6-13(11)7-12(8-14)9-15-10-12/h11,14H,2-10H2,1H3.
What are the key properties of [3-[(2-ethylpiperidin-1-yl)methyl]oxetan-3-yl]methanol?
[3-[(2-ethylpiperidin-1-yl)methyl]oxetan-3-yl]methanol has a molecular weight of 213.32 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-ethylpiperidin-1-yl)methyl]oxetan-3-yl]methanol is sourced from PubChem (CID 111976477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).