1-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl]-4-methylpiperidin-3-ol

C13H18Cl2N2O — CID 102959993

IUPAC1-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl]-4-methylpiperidin-3-ol
SMILESCc1cc(Cl)c(CN2CCC(C)C(O)C2)c(Cl)n1
InChIInChI=1S/C13H18Cl2N2O/c1-8-3-4-17(7-12(8)18)6-10-11(14)5-9(2)16-13(10)15/h5,8,12,18H,3-4,6-7H2,1-2H3
InChIKeyFHAHXXPWKPXEKV-UHFFFAOYSA-N
MW289.21 g/mol
LogP2.90
Rot. Bonds2

About 1-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl]-4-methylpiperidin-3-ol

1-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl]-4-methylpiperidin-3-ol (PubChem CID 102959993) has the molecular formula C13H18Cl2N2O and a molecular weight of 289.21 g/mol. Its IUPAC name is 1-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl]-4-methylpiperidin-3-ol.

Molecular Properties

Compound Name1-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl]-4-methylpiperidin-3-ol
PubChem CID102959993
Molecular FormulaC13H18Cl2N2O
Molecular Weight289.21 g/mol
Exact Mass288.08
IUPAC Name1-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl]-4-methylpiperidin-3-ol
SMILESCc1cc(Cl)c(CN2CCC(C)C(O)C2)c(Cl)n1
InChIInChI=1S/C13H18Cl2N2O/c1-8-3-4-17(7-12(8)18)6-10-11(14)5-9(2)16-13(10)15/h5,8,12,18H,3-4,6-7H2,1-2H3
InChIKeyFHAHXXPWKPXEKV-UHFFFAOYSA-N
XLogP2.90
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.21
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl]-4-methylpiperidin-3-ol?
The IUPAC name of 1-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl]-4-methylpiperidin-3-ol (CID 102959993) is 1-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl]-4-methylpiperidin-3-ol.
What is the SMILES notation for 1-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl]-4-methylpiperidin-3-ol?
The canonical SMILES for 1-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl]-4-methylpiperidin-3-ol is Cc1cc(Cl)c(CN2CCC(C)C(O)C2)c(Cl)n1.
What is the InChIKey of 1-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl]-4-methylpiperidin-3-ol?
The InChIKey is FHAHXXPWKPXEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O/c1-8-3-4-17(7-12(8)18)6-10-11(14)5-9(2)16-13(10)15/h5,8,12,18H,3-4,6-7H2,1-2H3.
What are the key properties of 1-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl]-4-methylpiperidin-3-ol?
1-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl]-4-methylpiperidin-3-ol has a molecular weight of 289.21 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl]-4-methylpiperidin-3-ol is sourced from PubChem (CID 102959993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).