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

C14H28N2O — CID 43771130

IUPAC2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]butan-1-ol
SMILESCCC(CO)NC1CCN(CC=C(C)C)CC1
InChIInChI=1S/C14H28N2O/c1-4-13(11-17)15-14-6-9-16(10-7-14)8-5-12(2)3/h5,13-15,17H,4,6-11H2,1-3H3
InChIKeyXQEVVLYFLNWBPC-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.78
Rot. Bonds6

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

2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]butan-1-ol (PubChem CID 43771130) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]butan-1-ol.

Molecular Properties

Compound Name2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]butan-1-ol
PubChem CID43771130
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]butan-1-ol
SMILESCCC(CO)NC1CCN(CC=C(C)C)CC1
InChIInChI=1S/C14H28N2O/c1-4-13(11-17)15-14-6-9-16(10-7-14)8-5-12(2)3/h5,13-15,17H,4,6-11H2,1-3H3
InChIKeyXQEVVLYFLNWBPC-UHFFFAOYSA-N
XLogP1.78
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.78
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
3-[[1-(3-Methylbut-2-enyl)piperidin-4-yl]amino]propan-1-ol
CID 43770605
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
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
N-(2-ethoxyethyl)-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 43778419

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]butan-1-ol?
The IUPAC name of 2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]butan-1-ol (CID 43771130) is 2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]butan-1-ol.
What is the SMILES notation for 2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]butan-1-ol?
The canonical SMILES for 2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]butan-1-ol is CCC(CO)NC1CCN(CC=C(C)C)CC1.
What is the InChIKey of 2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]butan-1-ol?
The InChIKey is XQEVVLYFLNWBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-4-13(11-17)15-14-6-9-16(10-7-14)8-5-12(2)3/h5,13-15,17H,4,6-11H2,1-3H3.
What are the key properties of 2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]butan-1-ol?
2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]butan-1-ol has a molecular weight of 240.39 g/mol, XLogP of 1.78, 6 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]butan-1-ol is sourced from PubChem (CID 43771130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).