2-[2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]ethoxy]ethanol

C14H28N2O2 — CID 43771477

IUPAC2-[2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]ethoxy]ethanol
SMILESCC(C)=CCN1CCC(NCCOCCO)CC1
InChIInChI=1S/C14H28N2O2/c1-13(2)3-7-16-8-4-14(5-9-16)15-6-11-18-12-10-17/h3,14-15,17H,4-12H2,1-2H3
InChIKeyQKHNBFFIXLMNHT-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.02
Rot. Bonds8

About 2-[2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]ethoxy]ethanol

2-[2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]ethoxy]ethanol (PubChem CID 43771477) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-[2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]ethoxy]ethanol
PubChem CID43771477
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name2-[2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]ethoxy]ethanol
SMILESCC(C)=CCN1CCC(NCCOCCO)CC1
InChIInChI=1S/C14H28N2O2/c1-13(2)3-7-16-8-4-14(5-9-16)15-6-11-18-12-10-17/h3,14-15,17H,4-12H2,1-2H3
InChIKeyQKHNBFFIXLMNHT-UHFFFAOYSA-N
XLogP1.02
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[4-[(E)-2-methylbut-2-enyl]piperazine-1,4-diium-1-yl]ethoxy]ethanol
CID 2059214
2-[2-[4-[(Z)-2-methylbut-2-enyl]piperazine-1,4-diium-1-yl]ethoxy]ethanol
CID 2059216
2-[2-[(1-Methylpiperidin-4-yl)amino]ethoxy]ethanol
CID 4711813
2-[2-[(1-Propan-2-ylpiperidin-4-yl)amino]ethoxy]ethanol
CID 28727276
2-[2-[(1-Ethylpiperidin-4-yl)amino]ethoxy]ethanol
CID 28727278
2-[2-[(1-Propylpiperidin-4-yl)amino]ethoxy]ethanol
CID 28727286
N-(2-methoxyethyl)-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 43756290
N-(1-methoxypropan-2-yl)-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 43758405
2-[[1-(3-Methylbut-2-enyl)piperidin-4-yl]amino]butan-1-ol
CID 43771130
2-[[1-(3-Methylbut-2-enyl)piperidin-4-yl]amino]ethanol
CID 43774103
1-[[1-(3-Methylbut-2-enyl)piperidin-4-yl]amino]propan-2-ol
CID 43776273
2-[[1-(3-Methylbut-2-enyl)piperidin-4-yl]amino]propan-1-ol
CID 43776393

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]ethoxy]ethanol?
The IUPAC name of 2-[2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]ethoxy]ethanol (CID 43771477) is 2-[2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]ethoxy]ethanol is CC(C)=CCN1CCC(NCCOCCO)CC1.
What is the InChIKey of 2-[2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]ethoxy]ethanol?
The InChIKey is QKHNBFFIXLMNHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-13(2)3-7-16-8-4-14(5-9-16)15-6-11-18-12-10-17/h3,14-15,17H,4-12H2,1-2H3.
What are the key properties of 2-[2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]ethoxy]ethanol?
2-[2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]ethoxy]ethanol has a molecular weight of 256.39 g/mol, XLogP of 1.02, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]ethoxy]ethanol is sourced from PubChem (CID 43771477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).