2-[2-[4-(propylaminomethyl)piperidin-1-yl]ethoxy]ethanol

C13H28N2O2 — CID 63849785

IUPAC2-[2-[4-(propylaminomethyl)piperidin-1-yl]ethoxy]ethanol
SMILESCCCNCC1CCN(CCOCCO)CC1
InChIInChI=1S/C13H28N2O2/c1-2-5-14-12-13-3-6-15(7-4-13)8-10-17-11-9-16/h13-14,16H,2-12H2,1H3
InChIKeyXPMGYRFJYDNXTA-UHFFFAOYSA-N
MW244.38 g/mol
LogP0.71
Rot. Bonds9

About 2-[2-[4-(propylaminomethyl)piperidin-1-yl]ethoxy]ethanol

2-[2-[4-(propylaminomethyl)piperidin-1-yl]ethoxy]ethanol (PubChem CID 63849785) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 2-[2-[4-(propylaminomethyl)piperidin-1-yl]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[4-(propylaminomethyl)piperidin-1-yl]ethoxy]ethanol
PubChem CID63849785
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name2-[2-[4-(propylaminomethyl)piperidin-1-yl]ethoxy]ethanol
SMILESCCCNCC1CCN(CCOCCO)CC1
InChIInChI=1S/C13H28N2O2/c1-2-5-14-12-13-3-6-15(7-4-13)8-10-17-11-9-16/h13-14,16H,2-12H2,1H3
InChIKeyXPMGYRFJYDNXTA-UHFFFAOYSA-N
XLogP0.71
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-(2-propoxyethyl)piperidin-4-yl]methyl]ethanamine
CID 106453503
N-[(1-hexylpiperidin-4-yl)methyl]propan-1-amine
CID 62591680
N-[[1-(2-propan-2-yloxyethyl)piperidin-4-yl]methyl]propan-1-amine
CID 62592739
2-[2-[4-(ethoxymethyl)piperidin-1-yl]ethoxy]ethanol
CID 111439736
2-[2-[(1-methylpyrrolidin-3-yl)methylamino]ethoxy]ethanol
CID 61070883
N-[[1-(4,4,4-trifluorobutyl)piperidin-4-yl]methyl]propan-1-amine
CID 115514231
1-[1-[2-(2-hydroxyethoxy)ethyl]piperidin-4-yl]ethanol
CID 103684371
N-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methyl]propan-1-amine
CID 64565266
N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]propan-1-amine
CID 62591685
2-[1-[2-(2-hydroxyethoxy)ethyl]piperidin-4-yl]-N,N-dimethylacetamide
CID 110027884
2-methoxy-N-[[1-[3-(2-methoxyethoxy)propyl]piperidin-4-yl]methyl]ethanamine
CID 103410149
2-[2-[4-(dimethylamino)piperidin-1-yl]ethoxy]ethanol
CID 61069984

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(propylaminomethyl)piperidin-1-yl]ethoxy]ethanol?
The IUPAC name of 2-[2-[4-(propylaminomethyl)piperidin-1-yl]ethoxy]ethanol (CID 63849785) is 2-[2-[4-(propylaminomethyl)piperidin-1-yl]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[4-(propylaminomethyl)piperidin-1-yl]ethoxy]ethanol?
The canonical SMILES for 2-[2-[4-(propylaminomethyl)piperidin-1-yl]ethoxy]ethanol is CCCNCC1CCN(CCOCCO)CC1.
What is the InChIKey of 2-[2-[4-(propylaminomethyl)piperidin-1-yl]ethoxy]ethanol?
The InChIKey is XPMGYRFJYDNXTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-2-5-14-12-13-3-6-15(7-4-13)8-10-17-11-9-16/h13-14,16H,2-12H2,1H3.
What are the key properties of 2-[2-[4-(propylaminomethyl)piperidin-1-yl]ethoxy]ethanol?
2-[2-[4-(propylaminomethyl)piperidin-1-yl]ethoxy]ethanol has a molecular weight of 244.38 g/mol, XLogP of 0.71, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(propylaminomethyl)piperidin-1-yl]ethoxy]ethanol is sourced from PubChem (CID 63849785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).