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

C12H24N2O — CID 43774103

IUPAC2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]ethanol
SMILESCC(C)=CCN1CCC(NCCO)CC1
InChIInChI=1S/C12H24N2O/c1-11(2)3-7-14-8-4-12(5-9-14)13-6-10-15/h3,12-13,15H,4-10H2,1-2H3
InChIKeyBKOUEXYCKVTXRL-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.00
Rot. Bonds5

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

2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]ethanol (PubChem CID 43774103) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]ethanol
PubChem CID43774103
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]ethanol
SMILESCC(C)=CCN1CCC(NCCO)CC1
InChIInChI=1S/C12H24N2O/c1-11(2)3-7-14-8-4-12(5-9-14)13-6-10-15/h3,12-13,15H,4-10H2,1-2H3
InChIKeyBKOUEXYCKVTXRL-UHFFFAOYSA-N
XLogP1.00
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,1,1-Trifluoro-3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propan-2-ol
CID 103778667
1,1-Difluoro-3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propan-2-ol
CID 103787959
2,2-Difluoro-3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propan-1-ol
CID 113463353
2-[(1-Prop-2-enylpiperidin-4-yl)amino]ethanol
CID 142143543
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
N-(3-ethoxypropyl)-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 43765303
N-(3-methoxypropyl)-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 43769589
3-[[1-(3-Methylbut-2-enyl)piperidin-4-yl]amino]propan-1-ol
CID 43770605
2-[[1-(3-Methylbut-2-enyl)piperidin-4-yl]amino]butan-1-ol
CID 43771130
2-[2-[[1-(3-Methylbut-2-enyl)piperidin-4-yl]amino]ethoxy]ethanol
CID 43771477
1-[[1-(3-Methylbut-2-enyl)piperidin-4-yl]amino]propan-2-ol
CID 43776273

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]ethanol?
The IUPAC name of 2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]ethanol (CID 43774103) is 2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]ethanol.
What is the SMILES notation for 2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]ethanol?
The canonical SMILES for 2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]ethanol is CC(C)=CCN1CCC(NCCO)CC1.
What is the InChIKey of 2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]ethanol?
The InChIKey is BKOUEXYCKVTXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-11(2)3-7-14-8-4-12(5-9-14)13-6-10-15/h3,12-13,15H,4-10H2,1-2H3.
What are the key properties of 2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]ethanol?
2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]ethanol has a molecular weight of 212.34 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]ethanol is sourced from PubChem (CID 43774103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).