2-methoxy-N-[[1-(2-propan-2-yloxyethyl)piperidin-3-yl]methyl]ethanamine

C14H30N2O2 — CID 62592907

IUPAC2-methoxy-N-[[1-(2-propan-2-yloxyethyl)piperidin-3-yl]methyl]ethanamine
SMILESCOCCNCC1CCCN(CCOC(C)C)C1
InChIInChI=1S/C14H30N2O2/c1-13(2)18-10-8-16-7-4-5-14(12-16)11-15-6-9-17-3/h13-15H,4-12H2,1-3H3
InChIKeyLKUOLBJTSGDFTD-UHFFFAOYSA-N
MW258.41 g/mol
LogP1.36
Rot. Bonds9

About 2-methoxy-N-[[1-(2-propan-2-yloxyethyl)piperidin-3-yl]methyl]ethanamine

2-methoxy-N-[[1-(2-propan-2-yloxyethyl)piperidin-3-yl]methyl]ethanamine (PubChem CID 62592907) has the molecular formula C14H30N2O2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 2-methoxy-N-[[1-(2-propan-2-yloxyethyl)piperidin-3-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[1-(2-propan-2-yloxyethyl)piperidin-3-yl]methyl]ethanamine
PubChem CID62592907
Molecular FormulaC14H30N2O2
Molecular Weight258.41 g/mol
Exact Mass258.23
IUPAC Name2-methoxy-N-[[1-(2-propan-2-yloxyethyl)piperidin-3-yl]methyl]ethanamine
SMILESCOCCNCC1CCCN(CCOC(C)C)C1
InChIInChI=1S/C14H30N2O2/c1-13(2)18-10-8-16-7-4-5-14(12-16)11-15-6-9-17-3/h13-15H,4-12H2,1-3H3
InChIKeyLKUOLBJTSGDFTD-UHFFFAOYSA-N
XLogP1.36
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N-[[1-(3-methylbutyl)piperidin-3-yl]methyl]ethanamine
CID 62593435
2-methoxy-N-[[1-(4-methylpentyl)piperidin-3-yl]methyl]ethanamine
CID 83158446
2-methoxy-N-[[1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-3-yl]methyl]ethanamine
CID 82887872
N-methyl-1-[1-(2-propan-2-yloxyethyl)piperidin-3-yl]methanamine;hydrochloride
CID 119914636
N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]propan-1-amine
CID 62581675
N-[[1-(cyclopropylmethyl)piperidin-3-yl]methyl]-2-methoxyethanamine
CID 62591849
N-[[1-(3-ethoxypropyl)piperidin-3-yl]methyl]-2-methoxyethanamine
CID 65175473
N-[[1-(2-ethylbutyl)piperidin-3-yl]methyl]-2-methoxyethanamine
CID 82925348
2-[1-(2-propan-2-yloxyethyl)piperidin-3-yl]acetic acid
CID 62689073
2-[3-[(2-methoxyethylamino)methyl]piperidin-1-yl]-N-(3-methylbutan-2-yl)acetamide
CID 63847459
4-[3-[(2-methoxyethylamino)methyl]piperidin-1-yl]-2,2-dimethylbutanenitrile
CID 65251196
2-methoxy-N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-3-yl]methyl]ethanamine
CID 62593259

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[1-(2-propan-2-yloxyethyl)piperidin-3-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[1-(2-propan-2-yloxyethyl)piperidin-3-yl]methyl]ethanamine (CID 62592907) is 2-methoxy-N-[[1-(2-propan-2-yloxyethyl)piperidin-3-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[1-(2-propan-2-yloxyethyl)piperidin-3-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[1-(2-propan-2-yloxyethyl)piperidin-3-yl]methyl]ethanamine is COCCNCC1CCCN(CCOC(C)C)C1.
What is the InChIKey of 2-methoxy-N-[[1-(2-propan-2-yloxyethyl)piperidin-3-yl]methyl]ethanamine?
The InChIKey is LKUOLBJTSGDFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2/c1-13(2)18-10-8-16-7-4-5-14(12-16)11-15-6-9-17-3/h13-15H,4-12H2,1-3H3.
What are the key properties of 2-methoxy-N-[[1-(2-propan-2-yloxyethyl)piperidin-3-yl]methyl]ethanamine?
2-methoxy-N-[[1-(2-propan-2-yloxyethyl)piperidin-3-yl]methyl]ethanamine has a molecular weight of 258.41 g/mol, XLogP of 1.36, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[1-(2-propan-2-yloxyethyl)piperidin-3-yl]methyl]ethanamine is sourced from PubChem (CID 62592907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).