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

C13H26N2O — CID 43776273

IUPAC1-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propan-2-ol
SMILESCC(C)=CCN1CCC(NCC(C)O)CC1
InChIInChI=1S/C13H26N2O/c1-11(2)4-7-15-8-5-13(6-9-15)14-10-12(3)16/h4,12-14,16H,5-10H2,1-3H3
InChIKeyAPXHYUMNHNDBHU-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.39
Rot. Bonds5

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

1-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propan-2-ol (PubChem CID 43776273) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 1-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propan-2-ol.

Molecular Properties

Compound Name1-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propan-2-ol
PubChem CID43776273
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name1-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propan-2-ol
SMILESCC(C)=CCN1CCC(NCC(C)O)CC1
InChIInChI=1S/C13H26N2O/c1-11(2)4-7-15-8-5-13(6-9-15)14-10-12(3)16/h4,12-14,16H,5-10H2,1-3H3
InChIKeyAPXHYUMNHNDBHU-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-[(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
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
2-[[1-(3-Methylbut-2-enyl)piperidin-4-yl]amino]propan-1-ol
CID 43776393
N-(2-ethoxyethyl)-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 43778419
2-[[1-(3-Methylbut-2-enyl)piperidin-4-yl]amino]cyclohexan-1-ol
CID 55064127

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propan-2-ol?
The IUPAC name of 1-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propan-2-ol (CID 43776273) is 1-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propan-2-ol.
What is the SMILES notation for 1-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propan-2-ol?
The canonical SMILES for 1-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propan-2-ol is CC(C)=CCN1CCC(NCC(C)O)CC1.
What is the InChIKey of 1-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propan-2-ol?
The InChIKey is APXHYUMNHNDBHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-11(2)4-7-15-8-5-13(6-9-15)14-10-12(3)16/h4,12-14,16H,5-10H2,1-3H3.
What are the key properties of 1-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propan-2-ol?
1-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propan-2-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 1-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propan-2-ol is sourced from PubChem (CID 43776273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).