2-(5-amino-2-pyridinyl)-1-(3,3-dimethylpiperidin-1-yl)ethanone;hydrochloride

C14H22ClN3O — CID 120623771

IUPAC2-(5-amino-2-pyridinyl)-1-(3,3-dimethylpiperidin-1-yl)ethanone;hydrochloride
SMILESCC1(C)CCCN(C(=O)Cc2ccc(N)cn2)C1.Cl
InChIInChI=1S/C14H21N3O.ClH/c1-14(2)6-3-7-17(10-14)13(18)8-12-5-4-11(15)9-16-12;/h4-5,9H,3,6-8,10,15H2,1-2H3;1H
InChIKeyPLLLXKQEIXJPRO-UHFFFAOYSA-N
MW283.80 g/mol
LogP2.28
Rot. Bonds2

About 2-(5-amino-2-pyridinyl)-1-(3,3-dimethylpiperidin-1-yl)ethanone;hydrochloride

2-(5-amino-2-pyridinyl)-1-(3,3-dimethylpiperidin-1-yl)ethanone;hydrochloride (PubChem CID 120623771) has the molecular formula C14H22ClN3O and a molecular weight of 283.80 g/mol. Its IUPAC name is 2-(5-amino-2-pyridinyl)-1-(3,3-dimethylpiperidin-1-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name2-(5-amino-2-pyridinyl)-1-(3,3-dimethylpiperidin-1-yl)ethanone;hydrochloride
PubChem CID120623771
Molecular FormulaC14H22ClN3O
Molecular Weight283.80 g/mol
Exact Mass283.15
IUPAC Name2-(5-amino-2-pyridinyl)-1-(3,3-dimethylpiperidin-1-yl)ethanone;hydrochloride
SMILESCC1(C)CCCN(C(=O)Cc2ccc(N)cn2)C1.Cl
InChIInChI=1S/C14H21N3O.ClH/c1-14(2)6-3-7-17(10-14)13(18)8-12-5-4-11(15)9-16-12;/h4-5,9H,3,6-8,10,15H2,1-2H3;1H
InChIKeyPLLLXKQEIXJPRO-UHFFFAOYSA-N
XLogP2.28
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-pyridinyl)-1-(3,3-dimethylpiperidin-1-yl)ethanone;hydrochloride?
The IUPAC name of 2-(5-amino-2-pyridinyl)-1-(3,3-dimethylpiperidin-1-yl)ethanone;hydrochloride (CID 120623771) is 2-(5-amino-2-pyridinyl)-1-(3,3-dimethylpiperidin-1-yl)ethanone;hydrochloride.
What is the SMILES notation for 2-(5-amino-2-pyridinyl)-1-(3,3-dimethylpiperidin-1-yl)ethanone;hydrochloride?
The canonical SMILES for 2-(5-amino-2-pyridinyl)-1-(3,3-dimethylpiperidin-1-yl)ethanone;hydrochloride is CC1(C)CCCN(C(=O)Cc2ccc(N)cn2)C1.Cl.
What is the InChIKey of 2-(5-amino-2-pyridinyl)-1-(3,3-dimethylpiperidin-1-yl)ethanone;hydrochloride?
The InChIKey is PLLLXKQEIXJPRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O.ClH/c1-14(2)6-3-7-17(10-14)13(18)8-12-5-4-11(15)9-16-12;/h4-5,9H,3,6-8,10,15H2,1-2H3;1H.
What are the key properties of 2-(5-amino-2-pyridinyl)-1-(3,3-dimethylpiperidin-1-yl)ethanone;hydrochloride?
2-(5-amino-2-pyridinyl)-1-(3,3-dimethylpiperidin-1-yl)ethanone;hydrochloride has a molecular weight of 283.80 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-pyridinyl)-1-(3,3-dimethylpiperidin-1-yl)ethanone;hydrochloride is sourced from PubChem (CID 120623771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).