2-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-6-methylpyridin-3-ol

C14H23N3O — CID 120781556

IUPAC2-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-6-methylpyridin-3-ol
SMILESCc1ccc(O)c(CN2CCC(N)C(C)(C)C2)n1
InChIInChI=1S/C14H23N3O/c1-10-4-5-12(18)11(16-10)8-17-7-6-13(15)14(2,3)9-17/h4-5,13,18H,6-9,15H2,1-3H3
InChIKeyYIVXVUDJKKKXEM-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.65
Rot. Bonds2

About 2-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-6-methylpyridin-3-ol

2-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-6-methylpyridin-3-ol (PubChem CID 120781556) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-6-methylpyridin-3-ol.

Molecular Properties

Compound Name2-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-6-methylpyridin-3-ol
PubChem CID120781556
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name2-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-6-methylpyridin-3-ol
SMILESCc1ccc(O)c(CN2CCC(N)C(C)(C)C2)n1
InChIInChI=1S/C14H23N3O/c1-10-4-5-12(18)11(16-10)8-17-7-6-13(15)14(2,3)9-17/h4-5,13,18H,6-9,15H2,1-3H3
InChIKeyYIVXVUDJKKKXEM-UHFFFAOYSA-N
XLogP1.65
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-6-methylpyridin-3-ol?
The IUPAC name of 2-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-6-methylpyridin-3-ol (CID 120781556) is 2-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-6-methylpyridin-3-ol.
What is the SMILES notation for 2-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-6-methylpyridin-3-ol?
The canonical SMILES for 2-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-6-methylpyridin-3-ol is Cc1ccc(O)c(CN2CCC(N)C(C)(C)C2)n1.
What is the InChIKey of 2-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-6-methylpyridin-3-ol?
The InChIKey is YIVXVUDJKKKXEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-10-4-5-12(18)11(16-10)8-17-7-6-13(15)14(2,3)9-17/h4-5,13,18H,6-9,15H2,1-3H3.
What are the key properties of 2-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-6-methylpyridin-3-ol?
2-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-6-methylpyridin-3-ol has a molecular weight of 249.36 g/mol, XLogP of 1.65, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-6-methylpyridin-3-ol is sourced from PubChem (CID 120781556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).