4-[[(1-methylpiperidin-2-yl)methylamino]methyl]oxan-4-ol

C13H26N2O2 — CID 81130255

IUPAC4-[[(1-methylpiperidin-2-yl)methylamino]methyl]oxan-4-ol
SMILESCN1CCCCC1CNCC1(O)CCOCC1
InChIInChI=1S/C13H26N2O2/c1-15-7-3-2-4-12(15)10-14-11-13(16)5-8-17-9-6-13/h12,14,16H,2-11H2,1H3
InChIKeyRUFVJQRWJWWCHM-UHFFFAOYSA-N
MW242.36 g/mol
LogP0.60
Rot. Bonds4

About 4-[[(1-methylpiperidin-2-yl)methylamino]methyl]oxan-4-ol

4-[[(1-methylpiperidin-2-yl)methylamino]methyl]oxan-4-ol (PubChem CID 81130255) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 4-[[(1-methylpiperidin-2-yl)methylamino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[(1-methylpiperidin-2-yl)methylamino]methyl]oxan-4-ol
PubChem CID81130255
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name4-[[(1-methylpiperidin-2-yl)methylamino]methyl]oxan-4-ol
SMILESCN1CCCCC1CNCC1(O)CCOCC1
InChIInChI=1S/C13H26N2O2/c1-15-7-3-2-4-12(15)10-14-11-13(16)5-8-17-9-6-13/h12,14,16H,2-11H2,1H3
InChIKeyRUFVJQRWJWWCHM-UHFFFAOYSA-N
XLogP0.60
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[[(1-methylpiperidin-2-yl)methylamino]methyl]cyclohexyl]methanol
CID 81419235
N-[(1-methylpiperidin-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 62655431
1-(1-methylpiperidin-2-yl)-N-[(2-methylthiolan-2-yl)methyl]methanamine
CID 80723156
1-[(1-methylpiperidin-2-yl)methyl]cyclopropan-1-ol
CID 84765666
2-(1-methylpiperidin-2-yl)-N-(oxan-4-ylmethyl)ethanamine
CID 63712568
1-[2-(1-methylpiperidin-2-yl)ethyl]cyclobutan-1-ol
CID 115073643
N-[(1-methylpiperidin-2-yl)methyl]hydroxylamine
CID 82684324
tert-butyl N-[1-[[(1-methylpiperidin-2-yl)methylamino]methyl]cyclobutyl]carbamate
CID 107243370
1-(2-methylcyclopentyl)-N-[(1-methylpiperidin-2-yl)methyl]methanamine
CID 107417066
1-[[(1-methylpyrrolidin-3-yl)methylamino]methyl]cycloheptan-1-ol
CID 54937597
2-[(1-methylpyrrolidin-2-yl)methylamino]-N-(oxan-4-yl)acetamide
CID 106025288
4-carbamothioyl-N-[(1-methylpyrrolidin-2-yl)methyl]oxane-4-carboxamide
CID 106023728

Frequently Asked Questions

What is the IUPAC name of 4-[[(1-methylpiperidin-2-yl)methylamino]methyl]oxan-4-ol?
The IUPAC name of 4-[[(1-methylpiperidin-2-yl)methylamino]methyl]oxan-4-ol (CID 81130255) is 4-[[(1-methylpiperidin-2-yl)methylamino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[(1-methylpiperidin-2-yl)methylamino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[(1-methylpiperidin-2-yl)methylamino]methyl]oxan-4-ol is CN1CCCCC1CNCC1(O)CCOCC1.
What is the InChIKey of 4-[[(1-methylpiperidin-2-yl)methylamino]methyl]oxan-4-ol?
The InChIKey is RUFVJQRWJWWCHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-15-7-3-2-4-12(15)10-14-11-13(16)5-8-17-9-6-13/h12,14,16H,2-11H2,1H3.
What are the key properties of 4-[[(1-methylpiperidin-2-yl)methylamino]methyl]oxan-4-ol?
4-[[(1-methylpiperidin-2-yl)methylamino]methyl]oxan-4-ol has a molecular weight of 242.36 g/mol, XLogP of 0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1-methylpiperidin-2-yl)methylamino]methyl]oxan-4-ol is sourced from PubChem (CID 81130255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).