2-[(1-prop-2-enylpiperidin-3-yl)amino]ethanol

C10H20N2O — CID 117004938

IUPAC2-[(1-prop-2-enylpiperidin-3-yl)amino]ethanol
SMILESC=CCN1CCCC(NCCO)C1
InChIInChI=1S/C10H20N2O/c1-2-6-12-7-3-4-10(9-12)11-5-8-13/h2,10-11,13H,1,3-9H2
InChIKeySCAHJRILAARTRY-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.22
Rot. Bonds5

About 2-[(1-prop-2-enylpiperidin-3-yl)amino]ethanol

2-[(1-prop-2-enylpiperidin-3-yl)amino]ethanol (PubChem CID 117004938) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-[(1-prop-2-enylpiperidin-3-yl)amino]ethanol.

Molecular Properties

Compound Name2-[(1-prop-2-enylpiperidin-3-yl)amino]ethanol
PubChem CID117004938
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name2-[(1-prop-2-enylpiperidin-3-yl)amino]ethanol
SMILESC=CCN1CCCC(NCCO)C1
InChIInChI=1S/C10H20N2O/c1-2-6-12-7-3-4-10(9-12)11-5-8-13/h2,10-11,13H,1,3-9H2
InChIKeySCAHJRILAARTRY-UHFFFAOYSA-N
XLogP0.22
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(1-prop-2-enylpiperidin-3-yl)amino]ethanol 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

2-[Methyl(piperidin-3-yl)amino]ethan-1-ol
CID 56831576
2-(2-Propylpiperazin-1-yl)ethanol
CID 20186031
2-(1-Piperidin-1-ylpropan-2-ylamino)ethanol
CID 57144231
2-(1-Methyl-piperidin-3-ylamino)-ethanol
CID 66565616
3-(1-Prop-2-enylpiperazin-2-yl)prop-1-en-1-ol
CID 70457069
2-[3-(3-Aminopropyl)piperazin-1-yl]ethanol
CID 70536907
2-[(1-Propan-2-ylpiperidin-3-yl)amino]ethanol
CID 84000504
2-[3-(Propan-2-ylamino)piperidin-1-yl]ethanol
CID 84050931
3-[(2S,5R)-5-methyl-1-prop-2-enylpiperazin-2-yl]propan-1-ol
CID 89260804
2-(3-Propylpiperazin-1-yl)ethanol
CID 91543753
1-(4-Aminopiperidin-1-yl)prop-2-en-1-ol
CID 123311652
2-[(1-Prop-2-enylpiperidin-4-yl)amino]ethanol
CID 142143543

Frequently Asked Questions

What is the IUPAC name of 2-[(1-prop-2-enylpiperidin-3-yl)amino]ethanol?
The IUPAC name of 2-[(1-prop-2-enylpiperidin-3-yl)amino]ethanol (CID 117004938) is 2-[(1-prop-2-enylpiperidin-3-yl)amino]ethanol.
What is the SMILES notation for 2-[(1-prop-2-enylpiperidin-3-yl)amino]ethanol?
The canonical SMILES for 2-[(1-prop-2-enylpiperidin-3-yl)amino]ethanol is C=CCN1CCCC(NCCO)C1.
What is the InChIKey of 2-[(1-prop-2-enylpiperidin-3-yl)amino]ethanol?
The InChIKey is SCAHJRILAARTRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-2-6-12-7-3-4-10(9-12)11-5-8-13/h2,10-11,13H,1,3-9H2.
What are the key properties of 2-[(1-prop-2-enylpiperidin-3-yl)amino]ethanol?
2-[(1-prop-2-enylpiperidin-3-yl)amino]ethanol has a molecular weight of 184.28 g/mol, XLogP of 0.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-prop-2-enylpiperidin-3-yl)amino]ethanol is sourced from PubChem (CID 117004938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).