2-(1-methylpiperidin-2-yl)-N-(oxan-4-ylmethyl)ethanamine

C14H28N2O — CID 63712568

IUPAC2-(1-methylpiperidin-2-yl)-N-(oxan-4-ylmethyl)ethanamine
SMILESCN1CCCCC1CCNCC1CCOCC1
InChIInChI=1S/C14H28N2O/c1-16-9-3-2-4-14(16)5-8-15-12-13-6-10-17-11-7-13/h13-15H,2-12H2,1H3
InChIKeyUZCNYDCUMATZGB-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.88
Rot. Bonds5

About 2-(1-methylpiperidin-2-yl)-N-(oxan-4-ylmethyl)ethanamine

2-(1-methylpiperidin-2-yl)-N-(oxan-4-ylmethyl)ethanamine (PubChem CID 63712568) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-(1-methylpiperidin-2-yl)-N-(oxan-4-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(1-methylpiperidin-2-yl)-N-(oxan-4-ylmethyl)ethanamine
PubChem CID63712568
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name2-(1-methylpiperidin-2-yl)-N-(oxan-4-ylmethyl)ethanamine
SMILESCN1CCCCC1CCNCC1CCOCC1
InChIInChI=1S/C14H28N2O/c1-16-9-3-2-4-14(16)5-8-15-12-13-6-10-17-11-7-13/h13-15H,2-12H2,1H3
InChIKeyUZCNYDCUMATZGB-UHFFFAOYSA-N
XLogP1.88
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(1-methylpiperidin-2-yl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine
CID 55067022
N-[(1-ethylpiperidin-4-yl)methyl]-2-(1-methylpiperidin-2-yl)ethanamine
CID 62416081
2-[[2-(1-methylpiperidin-2-yl)ethylamino]methyl]cyclohexan-1-ol
CID 64912841
N-ethyl-2-(1-methylpiperidin-2-yl)ethanamine
CID 60685781
N-[[2-(chloromethyl)cyclohexyl]methyl]-2-(1-methylpiperidin-2-yl)ethanamine
CID 107913747
methyl 3-[2-(1-methylpiperidin-2-yl)ethylamino]propanoate
CID 60692147
N-[(1-methylpiperidin-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 62655431
3-bromo-N-[2-(1-methylpiperidin-2-yl)ethyl]propan-1-amine
CID 107913859
2-(1-methylpiperidin-2-yl)-N-(2-propan-2-yloxyethyl)ethanamine
CID 104760185
2,3-dimethyl-N-[2-(1-methylpiperidin-2-yl)ethyl]butan-1-amine
CID 64570931
4-iodo-N-[2-(1-methylpiperidin-2-yl)ethyl]butan-1-amine
CID 107914068
2-(2-ethylpiperidin-1-yl)-N-(oxolan-3-ylmethyl)ethanamine
CID 62575587

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpiperidin-2-yl)-N-(oxan-4-ylmethyl)ethanamine?
The IUPAC name of 2-(1-methylpiperidin-2-yl)-N-(oxan-4-ylmethyl)ethanamine (CID 63712568) is 2-(1-methylpiperidin-2-yl)-N-(oxan-4-ylmethyl)ethanamine.
What is the SMILES notation for 2-(1-methylpiperidin-2-yl)-N-(oxan-4-ylmethyl)ethanamine?
The canonical SMILES for 2-(1-methylpiperidin-2-yl)-N-(oxan-4-ylmethyl)ethanamine is CN1CCCCC1CCNCC1CCOCC1.
What is the InChIKey of 2-(1-methylpiperidin-2-yl)-N-(oxan-4-ylmethyl)ethanamine?
The InChIKey is UZCNYDCUMATZGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-16-9-3-2-4-14(16)5-8-15-12-13-6-10-17-11-7-13/h13-15H,2-12H2,1H3.
What are the key properties of 2-(1-methylpiperidin-2-yl)-N-(oxan-4-ylmethyl)ethanamine?
2-(1-methylpiperidin-2-yl)-N-(oxan-4-ylmethyl)ethanamine has a molecular weight of 240.39 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpiperidin-2-yl)-N-(oxan-4-ylmethyl)ethanamine is sourced from PubChem (CID 63712568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).