(6-amino-2-pyridinyl)-[4-(methoxymethyl)piperidin-1-yl]methanone;hydrochloride

C13H20ClN3O2 — CID 119999102

IUPAC(6-amino-2-pyridinyl)-[4-(methoxymethyl)piperidin-1-yl]methanone;hydrochloride
SMILESCOCC1CCN(C(=O)c2cccc(N)n2)CC1.Cl
InChIInChI=1S/C13H19N3O2.ClH/c1-18-9-10-5-7-16(8-6-10)13(17)11-3-2-4-12(14)15-11;/h2-4,10H,5-9H2,1H3,(H2,14,15);1H
InChIKeyONAKZRAXDTWHBO-UHFFFAOYSA-N
MW285.77 g/mol
LogP1.58
Rot. Bonds3

About (6-amino-2-pyridinyl)-[4-(methoxymethyl)piperidin-1-yl]methanone;hydrochloride

(6-amino-2-pyridinyl)-[4-(methoxymethyl)piperidin-1-yl]methanone;hydrochloride (PubChem CID 119999102) has the molecular formula C13H20ClN3O2 and a molecular weight of 285.77 g/mol. Its IUPAC name is (6-amino-2-pyridinyl)-[4-(methoxymethyl)piperidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(6-amino-2-pyridinyl)-[4-(methoxymethyl)piperidin-1-yl]methanone;hydrochloride
PubChem CID119999102
Molecular FormulaC13H20ClN3O2
Molecular Weight285.77 g/mol
Exact Mass285.12
IUPAC Name(6-amino-2-pyridinyl)-[4-(methoxymethyl)piperidin-1-yl]methanone;hydrochloride
SMILESCOCC1CCN(C(=O)c2cccc(N)n2)CC1.Cl
InChIInChI=1S/C13H19N3O2.ClH/c1-18-9-10-5-7-16(8-6-10)13(17)11-3-2-4-12(14)15-11;/h2-4,10H,5-9H2,1H3,(H2,14,15);1H
InChIKeyONAKZRAXDTWHBO-UHFFFAOYSA-N
XLogP1.58
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6-amino-2-pyridinyl)-[4-(methoxymethyl)piperidin-1-yl]methanone;hydrochloride?
The IUPAC name of (6-amino-2-pyridinyl)-[4-(methoxymethyl)piperidin-1-yl]methanone;hydrochloride (CID 119999102) is (6-amino-2-pyridinyl)-[4-(methoxymethyl)piperidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for (6-amino-2-pyridinyl)-[4-(methoxymethyl)piperidin-1-yl]methanone;hydrochloride?
The canonical SMILES for (6-amino-2-pyridinyl)-[4-(methoxymethyl)piperidin-1-yl]methanone;hydrochloride is COCC1CCN(C(=O)c2cccc(N)n2)CC1.Cl.
What is the InChIKey of (6-amino-2-pyridinyl)-[4-(methoxymethyl)piperidin-1-yl]methanone;hydrochloride?
The InChIKey is ONAKZRAXDTWHBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2.ClH/c1-18-9-10-5-7-16(8-6-10)13(17)11-3-2-4-12(14)15-11;/h2-4,10H,5-9H2,1H3,(H2,14,15);1H.
What are the key properties of (6-amino-2-pyridinyl)-[4-(methoxymethyl)piperidin-1-yl]methanone;hydrochloride?
(6-amino-2-pyridinyl)-[4-(methoxymethyl)piperidin-1-yl]methanone;hydrochloride has a molecular weight of 285.77 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-2-pyridinyl)-[4-(methoxymethyl)piperidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 119999102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).