1-ethoxy-3-[3-[(2-methoxyethylamino)methyl]piperidin-1-yl]propan-2-ol

C14H30N2O3 — CID 63932403

IUPAC1-ethoxy-3-[3-[(2-methoxyethylamino)methyl]piperidin-1-yl]propan-2-ol
SMILESCCOCC(O)CN1CCCC(CNCCOC)C1
InChIInChI=1S/C14H30N2O3/c1-3-19-12-14(17)11-16-7-4-5-13(10-16)9-15-6-8-18-2/h13-15,17H,3-12H2,1-2H3
InChIKeyNUDNCWMTAOYQNN-UHFFFAOYSA-N
MW274.40 g/mol
LogP0.33
Rot. Bonds10

About 1-ethoxy-3-[3-[(2-methoxyethylamino)methyl]piperidin-1-yl]propan-2-ol

1-ethoxy-3-[3-[(2-methoxyethylamino)methyl]piperidin-1-yl]propan-2-ol (PubChem CID 63932403) has the molecular formula C14H30N2O3 and a molecular weight of 274.40 g/mol. Its IUPAC name is 1-ethoxy-3-[3-[(2-methoxyethylamino)methyl]piperidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-ethoxy-3-[3-[(2-methoxyethylamino)methyl]piperidin-1-yl]propan-2-ol
PubChem CID63932403
Molecular FormulaC14H30N2O3
Molecular Weight274.40 g/mol
Exact Mass274.23
IUPAC Name1-ethoxy-3-[3-[(2-methoxyethylamino)methyl]piperidin-1-yl]propan-2-ol
SMILESCCOCC(O)CN1CCCC(CNCCOC)C1
InChIInChI=1S/C14H30N2O3/c1-3-19-12-14(17)11-16-7-4-5-13(10-16)9-15-6-8-18-2/h13-15,17H,3-12H2,1-2H3
InChIKeyNUDNCWMTAOYQNN-UHFFFAOYSA-N
XLogP0.33
TPSA53.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 50.33
H-Bond Donors ≤ 52
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-(2-ethylbutyl)piperidin-3-yl]methyl]-2-methoxyethanamine
CID 82925348
N-[[1-(3-ethoxypropyl)piperidin-3-yl]methyl]-2-methoxyethanamine
CID 65175473
N-[[1-(cyclopropylmethyl)piperidin-3-yl]methyl]-2-methoxyethanamine
CID 62591849
1-butoxy-3-[3-[(2-methylpropylamino)methyl]piperidin-1-yl]propan-2-ol
CID 107264400
1-butoxy-3-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propan-2-ol
CID 107264161
2-methoxy-N-[[1-(3-methylbutyl)piperidin-3-yl]methyl]ethanamine
CID 62593435
1-butoxy-3-[3-[(tert-butylamino)methyl]piperidin-1-yl]propan-2-ol
CID 107264399
2-methoxy-N-[[1-(4-methylpentyl)piperidin-3-yl]methyl]ethanamine
CID 83158446
2-methoxy-N-[[1-(2-propan-2-yloxyethyl)piperidin-3-yl]methyl]ethanamine
CID 62592907
1-ethoxy-3-(3-ethylpyrrolidin-1-yl)propan-2-ol
CID 115688741
2-methoxy-N-[[1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-3-yl]methyl]ethanamine
CID 82887872
N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]propan-1-amine
CID 62581675

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3-[3-[(2-methoxyethylamino)methyl]piperidin-1-yl]propan-2-ol?
The IUPAC name of 1-ethoxy-3-[3-[(2-methoxyethylamino)methyl]piperidin-1-yl]propan-2-ol (CID 63932403) is 1-ethoxy-3-[3-[(2-methoxyethylamino)methyl]piperidin-1-yl]propan-2-ol.
What is the SMILES notation for 1-ethoxy-3-[3-[(2-methoxyethylamino)methyl]piperidin-1-yl]propan-2-ol?
The canonical SMILES for 1-ethoxy-3-[3-[(2-methoxyethylamino)methyl]piperidin-1-yl]propan-2-ol is CCOCC(O)CN1CCCC(CNCCOC)C1.
What is the InChIKey of 1-ethoxy-3-[3-[(2-methoxyethylamino)methyl]piperidin-1-yl]propan-2-ol?
The InChIKey is NUDNCWMTAOYQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O3/c1-3-19-12-14(17)11-16-7-4-5-13(10-16)9-15-6-8-18-2/h13-15,17H,3-12H2,1-2H3.
What are the key properties of 1-ethoxy-3-[3-[(2-methoxyethylamino)methyl]piperidin-1-yl]propan-2-ol?
1-ethoxy-3-[3-[(2-methoxyethylamino)methyl]piperidin-1-yl]propan-2-ol has a molecular weight of 274.40 g/mol, XLogP of 0.33, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3-[3-[(2-methoxyethylamino)methyl]piperidin-1-yl]propan-2-ol is sourced from PubChem (CID 63932403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).