4-[(1-prop-2-enylpiperidin-4-yl)amino]pentan-1-ol

C13H26N2O — CID 115971876

IUPAC4-[(1-prop-2-enylpiperidin-4-yl)amino]pentan-1-ol
SMILESC=CCN1CCC(NC(C)CCCO)CC1
InChIInChI=1S/C13H26N2O/c1-3-8-15-9-6-13(7-10-15)14-12(2)5-4-11-16/h3,12-14,16H,1,4-11H2,2H3
InChIKeyCJFMIYGLXPUDGS-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.39
Rot. Bonds7

About 4-[(1-prop-2-enylpiperidin-4-yl)amino]pentan-1-ol

4-[(1-prop-2-enylpiperidin-4-yl)amino]pentan-1-ol (PubChem CID 115971876) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 4-[(1-prop-2-enylpiperidin-4-yl)amino]pentan-1-ol.

Molecular Properties

Compound Name4-[(1-prop-2-enylpiperidin-4-yl)amino]pentan-1-ol
PubChem CID115971876
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name4-[(1-prop-2-enylpiperidin-4-yl)amino]pentan-1-ol
SMILESC=CCN1CCC(NC(C)CCCO)CC1
InChIInChI=1S/C13H26N2O/c1-3-8-15-9-6-13(7-10-15)14-12(2)5-4-11-16/h3,12-14,16H,1,4-11H2,2H3
InChIKeyCJFMIYGLXPUDGS-UHFFFAOYSA-N
XLogP1.39
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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'}

Analyze 4-[(1-prop-2-enylpiperidin-4-yl)amino]pentan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[Methyl(piperidin-4-yl)amino]butan-1-ol
CID 61669301
4-[4-(Methylamino)piperidin-1-yl]butan-1-ol
CID 61669690
4-((1-Methylpiperidin-4-yl)amino)butan-1-ol
CID 61669825
3-[(2S,5R)-5-methyl-1-prop-2-enylpiperazin-2-yl]propan-1-ol
CID 89260804
1-(4-Aminopiperidin-1-yl)prop-2-en-1-ol
CID 123311652
2-[(1-Prop-2-enylpiperidin-4-yl)amino]ethanol
CID 142143543
1-Methylpiperidin-4-amine;1-prop-2-enylpiperidin-3-ol
CID 143560412
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-[[1-(3-Methylbut-2-enyl)piperidin-4-yl]amino]propan-1-ol
CID 43776393
4-[Ethyl(piperidin-4-yl)amino]butan-1-ol
CID 61669302
4-[(1-Propylpiperidin-4-yl)amino]butan-1-ol
CID 61669339

Frequently Asked Questions

What is the IUPAC name of 4-[(1-prop-2-enylpiperidin-4-yl)amino]pentan-1-ol?
The IUPAC name of 4-[(1-prop-2-enylpiperidin-4-yl)amino]pentan-1-ol (CID 115971876) is 4-[(1-prop-2-enylpiperidin-4-yl)amino]pentan-1-ol.
What is the SMILES notation for 4-[(1-prop-2-enylpiperidin-4-yl)amino]pentan-1-ol?
The canonical SMILES for 4-[(1-prop-2-enylpiperidin-4-yl)amino]pentan-1-ol is C=CCN1CCC(NC(C)CCCO)CC1.
What is the InChIKey of 4-[(1-prop-2-enylpiperidin-4-yl)amino]pentan-1-ol?
The InChIKey is CJFMIYGLXPUDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-3-8-15-9-6-13(7-10-15)14-12(2)5-4-11-16/h3,12-14,16H,1,4-11H2,2H3.
What are the key properties of 4-[(1-prop-2-enylpiperidin-4-yl)amino]pentan-1-ol?
4-[(1-prop-2-enylpiperidin-4-yl)amino]pentan-1-ol has a molecular weight of 226.36 g/mol, XLogP of 1.39, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-prop-2-enylpiperidin-4-yl)amino]pentan-1-ol is sourced from PubChem (CID 115971876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).