2-[[4-(2-bromoethoxy)piperidin-1-yl]methyl]-4-methoxy-6-methylpyridine

C15H23BrN2O2 — CID 82895985

IUPAC2-[[4-(2-bromoethoxy)piperidin-1-yl]methyl]-4-methoxy-6-methylpyridine
SMILESCOc1cc(C)nc(CN2CCC(OCCBr)CC2)c1
InChIInChI=1S/C15H23BrN2O2/c1-12-9-15(19-2)10-13(17-12)11-18-6-3-14(4-7-18)20-8-5-16/h9-10,14H,3-8,11H2,1-2H3
InChIKeyKCIFVOYMUKPTFK-UHFFFAOYSA-N
MW343.27 g/mol
LogP2.77
Rot. Bonds6

About 2-[[4-(2-bromoethoxy)piperidin-1-yl]methyl]-4-methoxy-6-methylpyridine

2-[[4-(2-bromoethoxy)piperidin-1-yl]methyl]-4-methoxy-6-methylpyridine (PubChem CID 82895985) has the molecular formula C15H23BrN2O2 and a molecular weight of 343.27 g/mol. Its IUPAC name is 2-[[4-(2-bromoethoxy)piperidin-1-yl]methyl]-4-methoxy-6-methylpyridine.

Molecular Properties

Compound Name2-[[4-(2-bromoethoxy)piperidin-1-yl]methyl]-4-methoxy-6-methylpyridine
PubChem CID82895985
Molecular FormulaC15H23BrN2O2
Molecular Weight343.27 g/mol
Exact Mass342.09
IUPAC Name2-[[4-(2-bromoethoxy)piperidin-1-yl]methyl]-4-methoxy-6-methylpyridine
SMILESCOc1cc(C)nc(CN2CCC(OCCBr)CC2)c1
InChIInChI=1S/C15H23BrN2O2/c1-12-9-15(19-2)10-13(17-12)11-18-6-3-14(4-7-18)20-8-5-16/h9-10,14H,3-8,11H2,1-2H3
InChIKeyKCIFVOYMUKPTFK-UHFFFAOYSA-N
XLogP2.77
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.27
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-[[4-(2-bromoethoxy)piperidin-1-yl]methyl]-4-methoxy-6-methylpyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[3-(2-bromoethyl)pyrrolidin-1-yl]methyl]-4-methoxy-6-methylpyridine
CID 114800491
1-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidin-4-yl]ethanamine
CID 82891992
N-ethyl-1-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidin-4-yl]ethanamine
CID 82888652
1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-N,3-dimethylpiperidin-4-amine
CID 114499067
3-cyclopropyl-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperazine
CID 82895989
4-(2-bromoethoxy)-1-[(1-methylpyrazol-3-yl)methyl]piperidine
CID 82870505
8-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 82892806
1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-3,5-dimethylpiperazine
CID 82893576
4-(2-bromoethoxy)-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidine
CID 82691245
[4-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]cyclohexyl]methanol
CID 106825399
4-(2-bromoethoxy)-1-[(3-bromo-4-methoxyphenyl)methyl]piperidine
CID 82691842
[4-methoxy-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidin-2-yl]methanamine
CID 115963754

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-bromoethoxy)piperidin-1-yl]methyl]-4-methoxy-6-methylpyridine?
The IUPAC name of 2-[[4-(2-bromoethoxy)piperidin-1-yl]methyl]-4-methoxy-6-methylpyridine (CID 82895985) is 2-[[4-(2-bromoethoxy)piperidin-1-yl]methyl]-4-methoxy-6-methylpyridine.
What is the SMILES notation for 2-[[4-(2-bromoethoxy)piperidin-1-yl]methyl]-4-methoxy-6-methylpyridine?
The canonical SMILES for 2-[[4-(2-bromoethoxy)piperidin-1-yl]methyl]-4-methoxy-6-methylpyridine is COc1cc(C)nc(CN2CCC(OCCBr)CC2)c1.
What is the InChIKey of 2-[[4-(2-bromoethoxy)piperidin-1-yl]methyl]-4-methoxy-6-methylpyridine?
The InChIKey is KCIFVOYMUKPTFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O2/c1-12-9-15(19-2)10-13(17-12)11-18-6-3-14(4-7-18)20-8-5-16/h9-10,14H,3-8,11H2,1-2H3.
What are the key properties of 2-[[4-(2-bromoethoxy)piperidin-1-yl]methyl]-4-methoxy-6-methylpyridine?
2-[[4-(2-bromoethoxy)piperidin-1-yl]methyl]-4-methoxy-6-methylpyridine has a molecular weight of 343.27 g/mol, XLogP of 2.77, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-bromoethoxy)piperidin-1-yl]methyl]-4-methoxy-6-methylpyridine is sourced from PubChem (CID 82895985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).