3-(chloromethyl)-2-(2-piperidin-1-ylethoxy)pyridine

C13H19ClN2O — CID 61267879

IUPAC3-(chloromethyl)-2-(2-piperidin-1-ylethoxy)pyridine
SMILESClCc1cccnc1OCCN1CCCCC1
InChIInChI=1S/C13H19ClN2O/c14-11-12-5-4-6-15-13(12)17-10-9-16-7-2-1-3-8-16/h4-6H,1-3,7-11H2
InChIKeyYSDCHPKXCYMQRB-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.69
Rot. Bonds5

About 3-(chloromethyl)-2-(2-piperidin-1-ylethoxy)pyridine

3-(chloromethyl)-2-(2-piperidin-1-ylethoxy)pyridine (PubChem CID 61267879) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 3-(chloromethyl)-2-(2-piperidin-1-ylethoxy)pyridine.

Molecular Properties

Compound Name3-(chloromethyl)-2-(2-piperidin-1-ylethoxy)pyridine
PubChem CID61267879
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name3-(chloromethyl)-2-(2-piperidin-1-ylethoxy)pyridine
SMILESClCc1cccnc1OCCN1CCCCC1
InChIInChI=1S/C13H19ClN2O/c14-11-12-5-4-6-15-13(12)17-10-9-16-7-2-1-3-8-16/h4-6H,1-3,7-11H2
InChIKeyYSDCHPKXCYMQRB-UHFFFAOYSA-N
XLogP2.69
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.69
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

3-bromo-2-(2-piperidin-1-ylethoxy)pyridine
CID 55136336
3-(chloromethyl)-2-(cyclohexylmethoxy)pyridine
CID 62383019
3-(chloromethyl)-2-(3,3-dimethylbutoxy)pyridine
CID 66224234
3-(chloromethyl)-2-(2-propan-2-yloxyethoxy)pyridine
CID 61268037
3-(chloromethyl)-2-[2-(2-methylpropoxy)ethoxy]pyridine
CID 106448463
5-(chloromethyl)-4-methyl-2-(2-piperidin-1-ylethoxy)pyrimidine
CID 83184339
[1-(2-piperidin-1-ylethoxy)isoquinolin-4-yl]methanol
CID 106768736
1-[(2-butoxy-3-pyridinyl)methyl]-2-methyl-3-(2-piperidin-1-ylethyl)guanidine
CID 111417253
2-(2-pyrrolidin-1-ylethoxymethyl)pyridine
CID 163407284
3-(3-chlorophenyl)-5-[2-(2-piperidin-1-ylethoxy)-3-pyridinyl]-1,2,4-oxadiazole
CID 59477116
N-[2-(azepan-1-yl)ethyl]-3-chloropyridin-2-amine
CID 61241551
3-(3-piperidin-1-ylpropyl)pyridin-2-amine
CID 159183152

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-2-(2-piperidin-1-ylethoxy)pyridine?
The IUPAC name of 3-(chloromethyl)-2-(2-piperidin-1-ylethoxy)pyridine (CID 61267879) is 3-(chloromethyl)-2-(2-piperidin-1-ylethoxy)pyridine.
What is the SMILES notation for 3-(chloromethyl)-2-(2-piperidin-1-ylethoxy)pyridine?
The canonical SMILES for 3-(chloromethyl)-2-(2-piperidin-1-ylethoxy)pyridine is ClCc1cccnc1OCCN1CCCCC1.
What is the InChIKey of 3-(chloromethyl)-2-(2-piperidin-1-ylethoxy)pyridine?
The InChIKey is YSDCHPKXCYMQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c14-11-12-5-4-6-15-13(12)17-10-9-16-7-2-1-3-8-16/h4-6H,1-3,7-11H2.
What are the key properties of 3-(chloromethyl)-2-(2-piperidin-1-ylethoxy)pyridine?
3-(chloromethyl)-2-(2-piperidin-1-ylethoxy)pyridine has a molecular weight of 254.76 g/mol, XLogP of 2.69, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-2-(2-piperidin-1-ylethoxy)pyridine is sourced from PubChem (CID 61267879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).