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

C13H22ClN3O — CID 118741723

IUPACN-(2-methoxyethyl)-4-piperidin-3-ylpyridin-2-amine;hydrochloride
SMILESCOCCNc1cc(C2CCCNC2)ccn1.Cl
InChIInChI=1S/C13H21N3O.ClH/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);1H
InChIKeyLUTUOXJAYRSHNC-UHFFFAOYSA-N
MW271.79 g/mol
LogP2.03
Rot. Bonds5

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

N-(2-methoxyethyl)-4-piperidin-3-ylpyridin-2-amine;hydrochloride (PubChem CID 118741723) has the molecular formula C13H22ClN3O and a molecular weight of 271.79 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-piperidin-3-ylpyridin-2-amine;hydrochloride.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-piperidin-3-ylpyridin-2-amine;hydrochloride
PubChem CID118741723
Molecular FormulaC13H22ClN3O
Molecular Weight271.79 g/mol
Exact Mass271.15
IUPAC NameN-(2-methoxyethyl)-4-piperidin-3-ylpyridin-2-amine;hydrochloride
SMILESCOCCNc1cc(C2CCCNC2)ccn1.Cl
InChIInChI=1S/C13H21N3O.ClH/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);1H
InChIKeyLUTUOXJAYRSHNC-UHFFFAOYSA-N
XLogP2.03
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 52.03
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;hydrochloride?
The IUPAC name of N-(2-methoxyethyl)-4-piperidin-3-ylpyridin-2-amine;hydrochloride (CID 118741723) is N-(2-methoxyethyl)-4-piperidin-3-ylpyridin-2-amine;hydrochloride.
What is the SMILES notation for N-(2-methoxyethyl)-4-piperidin-3-ylpyridin-2-amine;hydrochloride?
The canonical SMILES for N-(2-methoxyethyl)-4-piperidin-3-ylpyridin-2-amine;hydrochloride is COCCNc1cc(C2CCCNC2)ccn1.Cl.
What is the InChIKey of N-(2-methoxyethyl)-4-piperidin-3-ylpyridin-2-amine;hydrochloride?
The InChIKey is LUTUOXJAYRSHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O.ClH/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);1H.
What are the key properties of N-(2-methoxyethyl)-4-piperidin-3-ylpyridin-2-amine;hydrochloride?
N-(2-methoxyethyl)-4-piperidin-3-ylpyridin-2-amine;hydrochloride has a molecular weight of 271.79 g/mol, XLogP of 2.03, 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;hydrochloride is sourced from PubChem (CID 118741723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).