1-[2-(ethylaminomethyl)piperidin-1-yl]-3-(2-methoxyethoxy)propan-2-ol

C14H30N2O3 — CID 106993028

IUPAC1-[2-(ethylaminomethyl)piperidin-1-yl]-3-(2-methoxyethoxy)propan-2-ol
SMILESCCNCC1CCCCN1CC(O)COCCOC
InChIInChI=1S/C14H30N2O3/c1-3-15-10-13-6-4-5-7-16(13)11-14(17)12-19-9-8-18-2/h13-15,17H,3-12H2,1-2H3
InChIKeyAVSPHCYELFWAOY-UHFFFAOYSA-N
MW274.40 g/mol
LogP0.47
Rot. Bonds10

About 1-[2-(ethylaminomethyl)piperidin-1-yl]-3-(2-methoxyethoxy)propan-2-ol

1-[2-(ethylaminomethyl)piperidin-1-yl]-3-(2-methoxyethoxy)propan-2-ol (PubChem CID 106993028) has the molecular formula C14H30N2O3 and a molecular weight of 274.40 g/mol. Its IUPAC name is 1-[2-(ethylaminomethyl)piperidin-1-yl]-3-(2-methoxyethoxy)propan-2-ol.

Molecular Properties

Compound Name1-[2-(ethylaminomethyl)piperidin-1-yl]-3-(2-methoxyethoxy)propan-2-ol
PubChem CID106993028
Molecular FormulaC14H30N2O3
Molecular Weight274.40 g/mol
Exact Mass274.23
IUPAC Name1-[2-(ethylaminomethyl)piperidin-1-yl]-3-(2-methoxyethoxy)propan-2-ol
SMILESCCNCC1CCCCN1CC(O)COCCOC
InChIInChI=1S/C14H30N2O3/c1-3-15-10-13-6-4-5-7-16(13)11-14(17)12-19-9-8-18-2/h13-15,17H,3-12H2,1-2H3
InChIKeyAVSPHCYELFWAOY-UHFFFAOYSA-N
XLogP0.47
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 ≤ 50.47
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

1-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-3-(2-methoxyethoxy)propan-2-ol
CID 106993034
2-[1-[2-hydroxy-3-(2-methoxyethoxy)propyl]piperidin-2-yl]acetic acid
CID 106991388
1-(2-ethylpyrrolidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol
CID 106991786
methyl 2-[1-(3-ethoxy-2-hydroxypropyl)piperidin-2-yl]acetate
CID 63932803
1-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-3-ethoxypropan-2-ol
CID 63932604
N-[[1-[2-(3-methoxypropoxy)ethyl]piperidin-2-yl]methyl]ethanamine
CID 103180300
1-butoxy-3-(2-ethylazepan-1-yl)propan-2-ol
CID 107263966
1-ethoxy-3-[2-(methylaminomethyl)pyrrolidin-1-yl]propan-2-ol
CID 115316928
1-ethoxy-3-[2-(hydroxymethyl)piperidin-1-yl]propan-2-ol
CID 63932738
N-[[1-(2-ethylbutyl)piperidin-2-yl]methyl]-2-methoxyethanamine
CID 82924579
1-(2-ethylazepan-1-yl)-3-(2-methoxyethylamino)propan-2-ol
CID 113441633
1-(2-ethylpiperidin-1-yl)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106991719

Frequently Asked Questions

What is the IUPAC name of 1-[2-(ethylaminomethyl)piperidin-1-yl]-3-(2-methoxyethoxy)propan-2-ol?
The IUPAC name of 1-[2-(ethylaminomethyl)piperidin-1-yl]-3-(2-methoxyethoxy)propan-2-ol (CID 106993028) is 1-[2-(ethylaminomethyl)piperidin-1-yl]-3-(2-methoxyethoxy)propan-2-ol.
What is the SMILES notation for 1-[2-(ethylaminomethyl)piperidin-1-yl]-3-(2-methoxyethoxy)propan-2-ol?
The canonical SMILES for 1-[2-(ethylaminomethyl)piperidin-1-yl]-3-(2-methoxyethoxy)propan-2-ol is CCNCC1CCCCN1CC(O)COCCOC.
What is the InChIKey of 1-[2-(ethylaminomethyl)piperidin-1-yl]-3-(2-methoxyethoxy)propan-2-ol?
The InChIKey is AVSPHCYELFWAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O3/c1-3-15-10-13-6-4-5-7-16(13)11-14(17)12-19-9-8-18-2/h13-15,17H,3-12H2,1-2H3.
What are the key properties of 1-[2-(ethylaminomethyl)piperidin-1-yl]-3-(2-methoxyethoxy)propan-2-ol?
1-[2-(ethylaminomethyl)piperidin-1-yl]-3-(2-methoxyethoxy)propan-2-ol has a molecular weight of 274.40 g/mol, XLogP of 0.47, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(ethylaminomethyl)piperidin-1-yl]-3-(2-methoxyethoxy)propan-2-ol is sourced from PubChem (CID 106993028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).