(2,6-dimethyl-4-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone

C15H22N2O2 — CID 77081763

IUPAC(2,6-dimethyl-4-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCCCC2CCO)cc(C)n1
InChIInChI=1S/C15H22N2O2/c1-11-9-13(10-12(2)16-11)15(19)17-7-4-3-5-14(17)6-8-18/h9-10,14,18H,3-8H2,1-2H3
InChIKeyVEDMVIVROGNHCN-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.08
Rot. Bonds3

About (2,6-dimethyl-4-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone

(2,6-dimethyl-4-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone (PubChem CID 77081763) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is (2,6-dimethyl-4-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,6-dimethyl-4-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
PubChem CID77081763
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name(2,6-dimethyl-4-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCCCC2CCO)cc(C)n1
InChIInChI=1S/C15H22N2O2/c1-11-9-13(10-12(2)16-11)15(19)17-7-4-3-5-14(17)6-8-18/h9-10,14,18H,3-8H2,1-2H3
InChIKeyVEDMVIVROGNHCN-UHFFFAOYSA-N
XLogP2.08
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,6-dimethyl-4-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone?
The IUPAC name of (2,6-dimethyl-4-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone (CID 77081763) is (2,6-dimethyl-4-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2,6-dimethyl-4-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone?
The canonical SMILES for (2,6-dimethyl-4-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone is Cc1cc(C(=O)N2CCCCC2CCO)cc(C)n1.
What is the InChIKey of (2,6-dimethyl-4-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone?
The InChIKey is VEDMVIVROGNHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11-9-13(10-12(2)16-11)15(19)17-7-4-3-5-14(17)6-8-18/h9-10,14,18H,3-8H2,1-2H3.
What are the key properties of (2,6-dimethyl-4-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone?
(2,6-dimethyl-4-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone has a molecular weight of 262.35 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethyl-4-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 77081763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).