2,4-dichloro-5-[(4-methoxypiperidin-1-yl)methyl]pyridine

C12H16Cl2N2O — CID 116518803

IUPAC2,4-dichloro-5-[(4-methoxypiperidin-1-yl)methyl]pyridine
SMILESCOC1CCN(Cc2cnc(Cl)cc2Cl)CC1
InChIInChI=1S/C12H16Cl2N2O/c1-17-10-2-4-16(5-3-10)8-9-7-15-12(14)6-11(9)13/h6-7,10H,2-5,8H2,1H3
InChIKeyKJCUFHFLRIEIFB-UHFFFAOYSA-N
MW275.18 g/mol
LogP3.00
Rot. Bonds3

About 2,4-dichloro-5-[(4-methoxypiperidin-1-yl)methyl]pyridine

2,4-dichloro-5-[(4-methoxypiperidin-1-yl)methyl]pyridine (PubChem CID 116518803) has the molecular formula C12H16Cl2N2O and a molecular weight of 275.18 g/mol. Its IUPAC name is 2,4-dichloro-5-[(4-methoxypiperidin-1-yl)methyl]pyridine.

Molecular Properties

Compound Name2,4-dichloro-5-[(4-methoxypiperidin-1-yl)methyl]pyridine
PubChem CID116518803
Molecular FormulaC12H16Cl2N2O
Molecular Weight275.18 g/mol
Exact Mass274.06
IUPAC Name2,4-dichloro-5-[(4-methoxypiperidin-1-yl)methyl]pyridine
SMILESCOC1CCN(Cc2cnc(Cl)cc2Cl)CC1
InChIInChI=1S/C12H16Cl2N2O/c1-17-10-2-4-16(5-3-10)8-9-7-15-12(14)6-11(9)13/h6-7,10H,2-5,8H2,1H3
InChIKeyKJCUFHFLRIEIFB-UHFFFAOYSA-N
XLogP3.00
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.18
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(4,6-dichloro-3-pyridinyl)methyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline
CID 116518828
2,4-dichloro-5-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyridine
CID 116518981
1-[(4,6-dichloro-3-pyridinyl)methyl]-3-methylazetidin-3-ol
CID 116519896
1-[(4,6-dichloro-3-pyridinyl)methyl]-4-phenylpiperazine
CID 116518761
[1-[(4,6-dichloro-3-pyridinyl)methyl]piperidin-3-yl]methanamine
CID 116519780
2-[(4,6-dichloro-3-pyridinyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 116519047
ethyl (3R)-1-[(4,6-dichloro-3-pyridinyl)methyl]piperidine-3-carboxylate
CID 104889125
3-chloro-4-[(4-methoxypiperidin-1-yl)methyl]benzenecarboximidamide
CID 102667756
4-chloro-2-methoxy-6-[(4-methoxypiperidin-1-yl)methyl]phenol
CID 104640025
2,4-dichloro-5-[(2-propylpiperidin-1-yl)methyl]pyridine
CID 116519073
2,4-dichloro-5-[(4-methylcyclohexyl)oxymethyl]pyridine
CID 116519370
2,4-dichloro-5-[[4-(2-methoxyethoxy)piperidin-1-yl]methyl]pyrimidine
CID 118936843

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-[(4-methoxypiperidin-1-yl)methyl]pyridine?
The IUPAC name of 2,4-dichloro-5-[(4-methoxypiperidin-1-yl)methyl]pyridine (CID 116518803) is 2,4-dichloro-5-[(4-methoxypiperidin-1-yl)methyl]pyridine.
What is the SMILES notation for 2,4-dichloro-5-[(4-methoxypiperidin-1-yl)methyl]pyridine?
The canonical SMILES for 2,4-dichloro-5-[(4-methoxypiperidin-1-yl)methyl]pyridine is COC1CCN(Cc2cnc(Cl)cc2Cl)CC1.
What is the InChIKey of 2,4-dichloro-5-[(4-methoxypiperidin-1-yl)methyl]pyridine?
The InChIKey is KJCUFHFLRIEIFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O/c1-17-10-2-4-16(5-3-10)8-9-7-15-12(14)6-11(9)13/h6-7,10H,2-5,8H2,1H3.
What are the key properties of 2,4-dichloro-5-[(4-methoxypiperidin-1-yl)methyl]pyridine?
2,4-dichloro-5-[(4-methoxypiperidin-1-yl)methyl]pyridine has a molecular weight of 275.18 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-[(4-methoxypiperidin-1-yl)methyl]pyridine is sourced from PubChem (CID 116518803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).