N-(2-methoxyethyl)-4-piperidin-3-ylpyridin-2-amine

C13H21N3O — CID 110271349

IUPACN-(2-methoxyethyl)-4-piperidin-3-ylpyridin-2-amine
SMILESCOCCNc1cc(C2CCCNC2)ccn1
InChIInChI=1S/C13H21N3O/c1-17-8-7-16-13-9-11(4-6-15-13)12-3-2-5-14-10-12/h4,6,9,12,14H,2-3,5,7-8,10H2,1H3,(H,15,16)
InChIKeyJXEWHHRISOSWMJ-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.61
Rot. Bonds5

About N-(2-methoxyethyl)-4-piperidin-3-ylpyridin-2-amine

N-(2-methoxyethyl)-4-piperidin-3-ylpyridin-2-amine (PubChem CID 110271349) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-piperidin-3-ylpyridin-2-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-piperidin-3-ylpyridin-2-amine
PubChem CID110271349
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN-(2-methoxyethyl)-4-piperidin-3-ylpyridin-2-amine
SMILESCOCCNc1cc(C2CCCNC2)ccn1
InChIInChI=1S/C13H21N3O/c1-17-8-7-16-13-9-11(4-6-15-13)12-3-2-5-14-10-12/h4,6,9,12,14H,2-3,5,7-8,10H2,1H3,(H,15,16)
InChIKeyJXEWHHRISOSWMJ-UHFFFAOYSA-N
XLogP1.61
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-piperidin-3-ylpyridin-2-amine?
The IUPAC name of N-(2-methoxyethyl)-4-piperidin-3-ylpyridin-2-amine (CID 110271349) is N-(2-methoxyethyl)-4-piperidin-3-ylpyridin-2-amine.
What is the SMILES notation for N-(2-methoxyethyl)-4-piperidin-3-ylpyridin-2-amine?
The canonical SMILES for N-(2-methoxyethyl)-4-piperidin-3-ylpyridin-2-amine is COCCNc1cc(C2CCCNC2)ccn1.
What is the InChIKey of N-(2-methoxyethyl)-4-piperidin-3-ylpyridin-2-amine?
The InChIKey is JXEWHHRISOSWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-17-8-7-16-13-9-11(4-6-15-13)12-3-2-5-14-10-12/h4,6,9,12,14H,2-3,5,7-8,10H2,1H3,(H,15,16).
What are the key properties of N-(2-methoxyethyl)-4-piperidin-3-ylpyridin-2-amine?
N-(2-methoxyethyl)-4-piperidin-3-ylpyridin-2-amine has a molecular weight of 235.33 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-piperidin-3-ylpyridin-2-amine is sourced from PubChem (CID 110271349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).