N-methyl-2-(oxan-4-yl)-N-(piperidin-3-ylmethyl)ethanamine

C14H28N2O — CID 115209752

IUPACN-methyl-2-(oxan-4-yl)-N-(piperidin-3-ylmethyl)ethanamine
SMILESCN(CCC1CCOCC1)CC1CCCNC1
InChIInChI=1S/C14H28N2O/c1-16(12-14-3-2-7-15-11-14)8-4-13-5-9-17-10-6-13/h13-15H,2-12H2,1H3
InChIKeyIATAZRYMMFJBQI-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.73
Rot. Bonds5

About N-methyl-2-(oxan-4-yl)-N-(piperidin-3-ylmethyl)ethanamine

N-methyl-2-(oxan-4-yl)-N-(piperidin-3-ylmethyl)ethanamine (PubChem CID 115209752) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is N-methyl-2-(oxan-4-yl)-N-(piperidin-3-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(oxan-4-yl)-N-(piperidin-3-ylmethyl)ethanamine
PubChem CID115209752
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC NameN-methyl-2-(oxan-4-yl)-N-(piperidin-3-ylmethyl)ethanamine
SMILESCN(CCC1CCOCC1)CC1CCCNC1
InChIInChI=1S/C14H28N2O/c1-16(12-14-3-2-7-15-11-14)8-4-13-5-9-17-10-6-13/h13-15H,2-12H2,1H3
InChIKeyIATAZRYMMFJBQI-UHFFFAOYSA-N
XLogP1.73
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 ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(oxolan-3-ylmethyl)-1-piperidin-3-ylmethanamine;hydrochloride
CID 119932323
2-cyclobutyl-N-methyl-N-(2-piperidin-3-ylethyl)ethanamine
CID 115211477
3-[2-(oxan-4-yl)ethyl]piperidine;hydrochloride
CID 126845728
N-methyl-N-(piperidin-3-ylmethyl)oxan-4-amine
CID 43611345
N-methyl-2-(oxan-2-yloxy)-N-(piperidin-3-ylmethyl)ethanamine
CID 106636343
N-methyl-N-[(2-methylcyclopropyl)methyl]-2-piperidin-3-ylethanamine
CID 63865515
N-(cyclobutylmethyl)-N-methyl-3-piperidin-3-ylpropan-1-amine
CID 62861568
3-[methyl(piperidin-3-ylmethyl)amino]propanenitrile
CID 80554591
N-methyl-N-(piperidin-3-ylmethyl)octan-1-amine
CID 106623723
1-cyclohexyl-N-methyl-N-(piperidin-3-ylmethyl)methanamine;hydrochloride
CID 119930005
2-cyclobutyl-N-methyl-N-(2-pyrrolidin-3-ylethyl)ethanamine
CID 115210939
4-[[methyl-[2-(oxan-4-yl)ethyl]amino]methyl]cyclohexan-1-ol
CID 115239955

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(oxan-4-yl)-N-(piperidin-3-ylmethyl)ethanamine?
The IUPAC name of N-methyl-2-(oxan-4-yl)-N-(piperidin-3-ylmethyl)ethanamine (CID 115209752) is N-methyl-2-(oxan-4-yl)-N-(piperidin-3-ylmethyl)ethanamine.
What is the SMILES notation for N-methyl-2-(oxan-4-yl)-N-(piperidin-3-ylmethyl)ethanamine?
The canonical SMILES for N-methyl-2-(oxan-4-yl)-N-(piperidin-3-ylmethyl)ethanamine is CN(CCC1CCOCC1)CC1CCCNC1.
What is the InChIKey of N-methyl-2-(oxan-4-yl)-N-(piperidin-3-ylmethyl)ethanamine?
The InChIKey is IATAZRYMMFJBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-16(12-14-3-2-7-15-11-14)8-4-13-5-9-17-10-6-13/h13-15H,2-12H2,1H3.
What are the key properties of N-methyl-2-(oxan-4-yl)-N-(piperidin-3-ylmethyl)ethanamine?
N-methyl-2-(oxan-4-yl)-N-(piperidin-3-ylmethyl)ethanamine has a molecular weight of 240.39 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(oxan-4-yl)-N-(piperidin-3-ylmethyl)ethanamine is sourced from PubChem (CID 115209752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).