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

C13H26N2O — CID 43776393

IUPAC2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propan-1-ol
SMILESCC(C)=CCN1CCC(NC(C)CO)CC1
InChIInChI=1S/C13H26N2O/c1-11(2)4-7-15-8-5-13(6-9-15)14-12(3)10-16/h4,12-14,16H,5-10H2,1-3H3
InChIKeyXDISVTDQZCIMGD-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.39
Rot. Bonds5

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

2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propan-1-ol (PubChem CID 43776393) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propan-1-ol.

Molecular Properties

Compound Name2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propan-1-ol
PubChem CID43776393
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propan-1-ol
SMILESCC(C)=CCN1CCC(NC(C)CO)CC1
InChIInChI=1S/C13H26N2O/c1-11(2)4-7-15-8-5-13(6-9-15)14-12(3)10-16/h4,12-14,16H,5-10H2,1-3H3
InChIKeyXDISVTDQZCIMGD-UHFFFAOYSA-N
XLogP1.39
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.39
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
4-Methyl-1-[(1-methylpiperidin-4-yl)amino]pent-3-en-1-ol
CID 146386676
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-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
2-[[1-(3-Methylbut-2-enyl)piperidin-4-yl]amino]ethanol
CID 43774103

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propan-1-ol?
The IUPAC name of 2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propan-1-ol (CID 43776393) is 2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propan-1-ol.
What is the SMILES notation for 2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propan-1-ol?
The canonical SMILES for 2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propan-1-ol is CC(C)=CCN1CCC(NC(C)CO)CC1.
What is the InChIKey of 2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propan-1-ol?
The InChIKey is XDISVTDQZCIMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-11(2)4-7-15-8-5-13(6-9-15)14-12(3)10-16/h4,12-14,16H,5-10H2,1-3H3.
What are the key properties of 2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propan-1-ol?
2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propan-1-ol has a molecular weight of 226.36 g/mol, XLogP of 1.39, 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]propan-1-ol is sourced from PubChem (CID 43776393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).