[3-[(1-methylpiperidin-4-yl)methyl]oxetan-3-yl]methanol

C11H21NO2 — CID 116930439

IUPAC[3-[(1-methylpiperidin-4-yl)methyl]oxetan-3-yl]methanol
SMILESCN1CCC(CC2(CO)COC2)CC1
InChIInChI=1S/C11H21NO2/c1-12-4-2-10(3-5-12)6-11(7-13)8-14-9-11/h10,13H,2-9H2,1H3
InChIKeyBTAFTSSCQSNGGO-UHFFFAOYSA-N
MW199.29 g/mol
LogP0.73
Rot. Bonds3

About [3-[(1-methylpiperidin-4-yl)methyl]oxetan-3-yl]methanol

[3-[(1-methylpiperidin-4-yl)methyl]oxetan-3-yl]methanol (PubChem CID 116930439) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is [3-[(1-methylpiperidin-4-yl)methyl]oxetan-3-yl]methanol.

Molecular Properties

Compound Name[3-[(1-methylpiperidin-4-yl)methyl]oxetan-3-yl]methanol
PubChem CID116930439
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name[3-[(1-methylpiperidin-4-yl)methyl]oxetan-3-yl]methanol
SMILESCN1CCC(CC2(CO)COC2)CC1
InChIInChI=1S/C11H21NO2/c1-12-4-2-10(3-5-12)6-11(7-13)8-14-9-11/h10,13H,2-9H2,1H3
InChIKeyBTAFTSSCQSNGGO-UHFFFAOYSA-N
XLogP0.73
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(cyclopropylmethyl)-1-methylpiperidin-4-yl]methanol
CID 70641658
[3-(cyclobutylmethyl)oxolan-3-yl]methanol
CID 130135661
[3-(cyclohexylmethyl)oxolan-3-yl]methanol
CID 66060066
[3-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]oxan-3-yl]methanol
CID 63745746
[3-[[[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]amino]methyl]oxetan-3-yl]methanol
CID 115249172
[1-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]cyclopropyl]methanol
CID 115243609
1-[(1-methylpiperidin-4-yl)methyl]cyclopropane-1-carboxylic acid
CID 116928821
[1-[(1-methylpiperidin-3-yl)methyl]cyclopropyl]methanol
CID 116928942
3-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]oxetane-3-carboxylic acid
CID 115248494
[3-[(1-methylsulfonylpiperidin-3-yl)methyl]oxolan-3-yl]methanol
CID 79623271
[2-[(1-methylpiperidin-4-yl)methyl]piperidin-2-yl]methanol
CID 115103547
3-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]oxetane-3-carboxylic acid
CID 115248496

Frequently Asked Questions

What is the IUPAC name of [3-[(1-methylpiperidin-4-yl)methyl]oxetan-3-yl]methanol?
The IUPAC name of [3-[(1-methylpiperidin-4-yl)methyl]oxetan-3-yl]methanol (CID 116930439) is [3-[(1-methylpiperidin-4-yl)methyl]oxetan-3-yl]methanol.
What is the SMILES notation for [3-[(1-methylpiperidin-4-yl)methyl]oxetan-3-yl]methanol?
The canonical SMILES for [3-[(1-methylpiperidin-4-yl)methyl]oxetan-3-yl]methanol is CN1CCC(CC2(CO)COC2)CC1.
What is the InChIKey of [3-[(1-methylpiperidin-4-yl)methyl]oxetan-3-yl]methanol?
The InChIKey is BTAFTSSCQSNGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-12-4-2-10(3-5-12)6-11(7-13)8-14-9-11/h10,13H,2-9H2,1H3.
What are the key properties of [3-[(1-methylpiperidin-4-yl)methyl]oxetan-3-yl]methanol?
[3-[(1-methylpiperidin-4-yl)methyl]oxetan-3-yl]methanol has a molecular weight of 199.29 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(1-methylpiperidin-4-yl)methyl]oxetan-3-yl]methanol is sourced from PubChem (CID 116930439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).