2-(3-amino-2-piperidin-1-ylanilino)ethanol

C13H21N3O — CID 66664718

IUPAC2-(3-amino-2-piperidin-1-ylanilino)ethanol
SMILESNc1cccc(NCCO)c1N1CCCCC1
InChIInChI=1S/C13H21N3O/c14-11-5-4-6-12(15-7-10-17)13(11)16-8-2-1-3-9-16/h4-6,15,17H,1-3,7-10,14H2
InChIKeyJKVISNLAQABLDO-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.66
Rot. Bonds4

About 2-(3-amino-2-piperidin-1-ylanilino)ethanol

2-(3-amino-2-piperidin-1-ylanilino)ethanol (PubChem CID 66664718) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-(3-amino-2-piperidin-1-ylanilino)ethanol.

Molecular Properties

Compound Name2-(3-amino-2-piperidin-1-ylanilino)ethanol
PubChem CID66664718
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-(3-amino-2-piperidin-1-ylanilino)ethanol
SMILESNc1cccc(NCCO)c1N1CCCCC1
InChIInChI=1S/C13H21N3O/c14-11-5-4-6-12(15-7-10-17)13(11)16-8-2-1-3-9-16/h4-6,15,17H,1-3,7-10,14H2
InChIKeyJKVISNLAQABLDO-UHFFFAOYSA-N
XLogP1.66
TPSA61.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-2-piperidin-1-ylanilino)ethanol?
The IUPAC name of 2-(3-amino-2-piperidin-1-ylanilino)ethanol (CID 66664718) is 2-(3-amino-2-piperidin-1-ylanilino)ethanol.
What is the SMILES notation for 2-(3-amino-2-piperidin-1-ylanilino)ethanol?
The canonical SMILES for 2-(3-amino-2-piperidin-1-ylanilino)ethanol is Nc1cccc(NCCO)c1N1CCCCC1.
What is the InChIKey of 2-(3-amino-2-piperidin-1-ylanilino)ethanol?
The InChIKey is JKVISNLAQABLDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c14-11-5-4-6-12(15-7-10-17)13(11)16-8-2-1-3-9-16/h4-6,15,17H,1-3,7-10,14H2.
What are the key properties of 2-(3-amino-2-piperidin-1-ylanilino)ethanol?
2-(3-amino-2-piperidin-1-ylanilino)ethanol has a molecular weight of 235.33 g/mol, XLogP of 1.66, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-2-piperidin-1-ylanilino)ethanol is sourced from PubChem (CID 66664718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).