N-[[1-[(4-ethylmorpholin-2-yl)methyl]piperidin-3-yl]methyl]-2-methoxyethanamine

C16H33N3O2 — CID 79174620

IUPACN-[[1-[(4-ethylmorpholin-2-yl)methyl]piperidin-3-yl]methyl]-2-methoxyethanamine
SMILESCCN1CCOC(CN2CCCC(CNCCOC)C2)C1
InChIInChI=1S/C16H33N3O2/c1-3-18-8-10-21-16(13-18)14-19-7-4-5-15(12-19)11-17-6-9-20-2/h15-17H,3-14H2,1-2H3
InChIKeyHXPAGRVIXOLAAP-UHFFFAOYSA-N
MW299.46 g/mol
LogP0.66
Rot. Bonds8

About N-[[1-[(4-ethylmorpholin-2-yl)methyl]piperidin-3-yl]methyl]-2-methoxyethanamine

N-[[1-[(4-ethylmorpholin-2-yl)methyl]piperidin-3-yl]methyl]-2-methoxyethanamine (PubChem CID 79174620) has the molecular formula C16H33N3O2 and a molecular weight of 299.46 g/mol. Its IUPAC name is N-[[1-[(4-ethylmorpholin-2-yl)methyl]piperidin-3-yl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[1-[(4-ethylmorpholin-2-yl)methyl]piperidin-3-yl]methyl]-2-methoxyethanamine
PubChem CID79174620
Molecular FormulaC16H33N3O2
Molecular Weight299.46 g/mol
Exact Mass299.26
IUPAC NameN-[[1-[(4-ethylmorpholin-2-yl)methyl]piperidin-3-yl]methyl]-2-methoxyethanamine
SMILESCCN1CCOC(CN2CCCC(CNCCOC)C2)C1
InChIInChI=1S/C16H33N3O2/c1-3-18-8-10-21-16(13-18)14-19-7-4-5-15(12-19)11-17-6-9-20-2/h15-17H,3-14H2,1-2H3
InChIKeyHXPAGRVIXOLAAP-UHFFFAOYSA-N
XLogP0.66
TPSA36.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-(cyclopropylmethyl)piperidin-3-yl]methyl]-2-methoxyethanamine
CID 62591849
2-methoxy-N-[[1-(oxolan-3-ylmethyl)piperidin-3-yl]methyl]ethanamine
CID 62593612
N-[[1-[(4-ethylmorpholin-2-yl)methyl]pyrrolidin-3-yl]methyl]propan-2-amine
CID 114400294
N-[[1-(2-ethylbutyl)piperidin-3-yl]methyl]-2-methoxyethanamine
CID 82925348
N-[[1-(3-ethoxypropyl)piperidin-3-yl]methyl]-2-methoxyethanamine
CID 65175473
2-cyclopentyloxy-N-[(4-ethylmorpholin-2-yl)methyl]ethanamine
CID 79164427
2-methoxy-N-[[1-(3-methylbutyl)piperidin-3-yl]methyl]ethanamine
CID 62593435
2-methoxy-N-[[1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-3-yl]methyl]ethanamine
CID 82887872
N-cyclopropyl-1-[(4-ethylmorpholin-2-yl)methyl]piperidin-3-amine
CID 114401290
2-cyclohexyl-N-[(4-ethylmorpholin-2-yl)methyl]ethanamine
CID 79163993
N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]propan-1-amine
CID 62581675
N'-[(4-ethylmorpholin-2-yl)methyl]-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 79172350

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4-ethylmorpholin-2-yl)methyl]piperidin-3-yl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[1-[(4-ethylmorpholin-2-yl)methyl]piperidin-3-yl]methyl]-2-methoxyethanamine (CID 79174620) is N-[[1-[(4-ethylmorpholin-2-yl)methyl]piperidin-3-yl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[1-[(4-ethylmorpholin-2-yl)methyl]piperidin-3-yl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[1-[(4-ethylmorpholin-2-yl)methyl]piperidin-3-yl]methyl]-2-methoxyethanamine is CCN1CCOC(CN2CCCC(CNCCOC)C2)C1.
What is the InChIKey of N-[[1-[(4-ethylmorpholin-2-yl)methyl]piperidin-3-yl]methyl]-2-methoxyethanamine?
The InChIKey is HXPAGRVIXOLAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O2/c1-3-18-8-10-21-16(13-18)14-19-7-4-5-15(12-19)11-17-6-9-20-2/h15-17H,3-14H2,1-2H3.
What are the key properties of N-[[1-[(4-ethylmorpholin-2-yl)methyl]piperidin-3-yl]methyl]-2-methoxyethanamine?
N-[[1-[(4-ethylmorpholin-2-yl)methyl]piperidin-3-yl]methyl]-2-methoxyethanamine has a molecular weight of 299.46 g/mol, XLogP of 0.66, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(4-ethylmorpholin-2-yl)methyl]piperidin-3-yl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 79174620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).