2-[(3-chloropiperidin-1-yl)methyl]-6-methoxypyridine

C12H17ClN2O — CID 63984943

IUPAC2-[(3-chloropiperidin-1-yl)methyl]-6-methoxypyridine
SMILESCOc1cccc(CN2CCCC(Cl)C2)n1
InChIInChI=1S/C12H17ClN2O/c1-16-12-6-2-5-11(14-12)9-15-7-3-4-10(13)8-15/h2,5-6,10H,3-4,7-9H2,1H3
InChIKeyJTDSJYQEEADHQK-UHFFFAOYSA-N
MW240.73 g/mol
LogP2.29
Rot. Bonds3

About 2-[(3-chloropiperidin-1-yl)methyl]-6-methoxypyridine

2-[(3-chloropiperidin-1-yl)methyl]-6-methoxypyridine (PubChem CID 63984943) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 2-[(3-chloropiperidin-1-yl)methyl]-6-methoxypyridine.

Molecular Properties

Compound Name2-[(3-chloropiperidin-1-yl)methyl]-6-methoxypyridine
PubChem CID63984943
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name2-[(3-chloropiperidin-1-yl)methyl]-6-methoxypyridine
SMILESCOc1cccc(CN2CCCC(Cl)C2)n1
InChIInChI=1S/C12H17ClN2O/c1-16-12-6-2-5-11(14-12)9-15-7-3-4-10(13)8-15/h2,5-6,10H,3-4,7-9H2,1H3
InChIKeyJTDSJYQEEADHQK-UHFFFAOYSA-N
XLogP2.29
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-6-(piperidin-1-ylmethyl)pyridine
CID 70652671
1-[(6-methoxy-2-pyridinyl)methyl]-4-methylpiperidin-3-ol
CID 103897931
2-methoxy-N-[[1-[(6-methoxy-2-pyridinyl)methyl]piperidin-3-yl]methyl]ethanamine
CID 63987091
2-[(4-bromo-3-methylpiperidin-1-yl)methyl]-6-methoxypyridine
CID 114682535
(3R)-1-[(6-methoxy-2-pyridinyl)methyl]-3-methylpiperazine
CID 104975727
2-[(3-chloropiperidin-1-yl)methyl]pyridine
CID 63386992
1-benzyl-4-[(6-methoxy-2-pyridinyl)methyl]piperazine
CID 172891684
2-[(3-chloropiperidin-1-yl)methyl]quinoline
CID 63387139
1-[1-[(6-methoxy-2-pyridinyl)methyl]piperidin-4-yl]ethanamine
CID 63992335
4-[(6-methoxy-2-pyridinyl)methyl]morpholine-2-carboxylic acid
CID 63985912
(4R,5R)-7-[(6-methoxy-2-pyridinyl)methyl]-7-azaspiro[4.5]decan-4-ol
CID 165425706
ethyl 1-[(6-methoxy-2-pyridinyl)methyl]piperidine-4-carboxylate
CID 63984544

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloropiperidin-1-yl)methyl]-6-methoxypyridine?
The IUPAC name of 2-[(3-chloropiperidin-1-yl)methyl]-6-methoxypyridine (CID 63984943) is 2-[(3-chloropiperidin-1-yl)methyl]-6-methoxypyridine.
What is the SMILES notation for 2-[(3-chloropiperidin-1-yl)methyl]-6-methoxypyridine?
The canonical SMILES for 2-[(3-chloropiperidin-1-yl)methyl]-6-methoxypyridine is COc1cccc(CN2CCCC(Cl)C2)n1.
What is the InChIKey of 2-[(3-chloropiperidin-1-yl)methyl]-6-methoxypyridine?
The InChIKey is JTDSJYQEEADHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-16-12-6-2-5-11(14-12)9-15-7-3-4-10(13)8-15/h2,5-6,10H,3-4,7-9H2,1H3.
What are the key properties of 2-[(3-chloropiperidin-1-yl)methyl]-6-methoxypyridine?
2-[(3-chloropiperidin-1-yl)methyl]-6-methoxypyridine has a molecular weight of 240.73 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloropiperidin-1-yl)methyl]-6-methoxypyridine is sourced from PubChem (CID 63984943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).