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

C14H28N2O2 — CID 111976746

IUPAC[3-[[methyl-(1-propylpiperidin-4-yl)amino]methyl]oxetan-3-yl]methanol
SMILESCCCN1CCC(N(C)CC2(CO)COC2)CC1
InChIInChI=1S/C14H28N2O2/c1-3-6-16-7-4-13(5-8-16)15(2)9-14(10-17)11-18-12-14/h13,17H,3-12H2,1-2H3
InChIKeyJQIRGLUTSPVUMF-UHFFFAOYSA-N
MW256.39 g/mol
LogP0.80
Rot. Bonds6

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

[3-[[methyl-(1-propylpiperidin-4-yl)amino]methyl]oxetan-3-yl]methanol (PubChem CID 111976746) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is [3-[[methyl-(1-propylpiperidin-4-yl)amino]methyl]oxetan-3-yl]methanol.

Molecular Properties

Compound Name[3-[[methyl-(1-propylpiperidin-4-yl)amino]methyl]oxetan-3-yl]methanol
PubChem CID111976746
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name[3-[[methyl-(1-propylpiperidin-4-yl)amino]methyl]oxetan-3-yl]methanol
SMILESCCCN1CCC(N(C)CC2(CO)COC2)CC1
InChIInChI=1S/C14H28N2O2/c1-3-6-16-7-4-13(5-8-16)15(2)9-14(10-17)11-18-12-14/h13,17H,3-12H2,1-2H3
InChIKeyJQIRGLUTSPVUMF-UHFFFAOYSA-N
XLogP0.80
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N-methylpiperidin-4-amine
CID 63739464
N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N-methylcyclopropanamine
CID 62262540
[1-[[(1-propylpiperidin-4-yl)amino]methyl]cyclopentyl]methanol
CID 115358675
N'-methyl-N'-(1-propylazepan-4-yl)ethane-1,2-diamine
CID 65077334
3-[methyl-(1-propylpiperidin-4-yl)amino]-3-oxopropanoic acid
CID 62230268
[3-[(1-methylpiperidin-4-yl)methyl]oxetan-3-yl]methanol
CID 116930439
1-[[3-(hydroxymethyl)oxetan-3-yl]methyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide
CID 111976631
[1-[[(1-propylpiperidin-4-yl)amino]methyl]cyclohexyl]methanol
CID 81412863
N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]cyclopropanamine
CID 62262539
N-methyl-N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]cyclohexanamine
CID 62263421
1-(2-chlorophenyl)-3-[[3-(hydroxymethyl)oxetan-3-yl]methyl-methylamino]pyrrolidin-2-one
CID 111976754
N-[[1-(bromomethyl)cyclohexyl]methyl]-1-ethyl-N-methylpiperidin-4-amine
CID 65002528

Frequently Asked Questions

What is the IUPAC name of [3-[[methyl-(1-propylpiperidin-4-yl)amino]methyl]oxetan-3-yl]methanol?
The IUPAC name of [3-[[methyl-(1-propylpiperidin-4-yl)amino]methyl]oxetan-3-yl]methanol (CID 111976746) is [3-[[methyl-(1-propylpiperidin-4-yl)amino]methyl]oxetan-3-yl]methanol.
What is the SMILES notation for [3-[[methyl-(1-propylpiperidin-4-yl)amino]methyl]oxetan-3-yl]methanol?
The canonical SMILES for [3-[[methyl-(1-propylpiperidin-4-yl)amino]methyl]oxetan-3-yl]methanol is CCCN1CCC(N(C)CC2(CO)COC2)CC1.
What is the InChIKey of [3-[[methyl-(1-propylpiperidin-4-yl)amino]methyl]oxetan-3-yl]methanol?
The InChIKey is JQIRGLUTSPVUMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-3-6-16-7-4-13(5-8-16)15(2)9-14(10-17)11-18-12-14/h13,17H,3-12H2,1-2H3.
What are the key properties of [3-[[methyl-(1-propylpiperidin-4-yl)amino]methyl]oxetan-3-yl]methanol?
[3-[[methyl-(1-propylpiperidin-4-yl)amino]methyl]oxetan-3-yl]methanol has a molecular weight of 256.39 g/mol, XLogP of 0.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[methyl-(1-propylpiperidin-4-yl)amino]methyl]oxetan-3-yl]methanol is sourced from PubChem (CID 111976746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).