2-[2-(chloromethyl)piperidin-1-yl]-6-ethoxypyridine

C13H19ClN2O — CID 55212201

IUPAC2-[2-(chloromethyl)piperidin-1-yl]-6-ethoxypyridine
SMILESCCOc1cccc(N2CCCCC2CCl)n1
InChIInChI=1S/C13H19ClN2O/c1-2-17-13-8-5-7-12(15-13)16-9-4-3-6-11(16)10-14/h5,7-8,11H,2-4,6,9-10H2,1H3
InChIKeyYRTNRDHAGCGENI-UHFFFAOYSA-N
MW254.76 g/mol
LogP3.08
Rot. Bonds4

About 2-[2-(chloromethyl)piperidin-1-yl]-6-ethoxypyridine

2-[2-(chloromethyl)piperidin-1-yl]-6-ethoxypyridine (PubChem CID 55212201) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 2-[2-(chloromethyl)piperidin-1-yl]-6-ethoxypyridine.

Molecular Properties

Compound Name2-[2-(chloromethyl)piperidin-1-yl]-6-ethoxypyridine
PubChem CID55212201
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name2-[2-(chloromethyl)piperidin-1-yl]-6-ethoxypyridine
SMILESCCOc1cccc(N2CCCCC2CCl)n1
InChIInChI=1S/C13H19ClN2O/c1-2-17-13-8-5-7-12(15-13)16-9-4-3-6-11(16)10-14/h5,7-8,11H,2-4,6,9-10H2,1H3
InChIKeyYRTNRDHAGCGENI-UHFFFAOYSA-N
XLogP3.08
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 53.08
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-[1-(6-ethoxy-2-pyridinyl)piperidin-2-yl]ethanamine
CID 63767579
4-[2-(chloromethyl)pyrrolidin-1-yl]-6-ethoxy-2-methylpyrimidine
CID 66331103
2-(bromomethyl)-1-(6-ethoxypyrazin-2-yl)azepane
CID 116638703
[1-(6-methoxy-2-pyridinyl)piperidin-2-yl]methanol
CID 63590971
4-[2-(2-chloroethyl)piperidin-1-yl]-6-ethoxypyrimidine
CID 66331141
4-[2-(2-bromoethyl)piperidin-1-yl]-6-ethoxypyrimidine
CID 80663054
[1-(4-ethoxypyrimidin-2-yl)piperidin-2-yl]methanamine
CID 112638544
4-[2-(chloromethyl)piperidin-1-yl]-6-methoxy-2-methylpyrimidine
CID 66331673
2-[4-(1-chloroethyl)piperidin-1-yl]-6-ethoxypyridine
CID 106838569
2-[2-(bromomethyl)piperidin-1-yl]-4-ethoxy-6-methylpyrimidine
CID 112635723
1-[1-(6-ethoxy-2-pyridinyl)piperidin-4-yl]ethanone
CID 63845323
methyl 2-[1-(6-methoxy-2-pyridinyl)piperidin-2-yl]acetate
CID 63587218

Frequently Asked Questions

What is the IUPAC name of 2-[2-(chloromethyl)piperidin-1-yl]-6-ethoxypyridine?
The IUPAC name of 2-[2-(chloromethyl)piperidin-1-yl]-6-ethoxypyridine (CID 55212201) is 2-[2-(chloromethyl)piperidin-1-yl]-6-ethoxypyridine.
What is the SMILES notation for 2-[2-(chloromethyl)piperidin-1-yl]-6-ethoxypyridine?
The canonical SMILES for 2-[2-(chloromethyl)piperidin-1-yl]-6-ethoxypyridine is CCOc1cccc(N2CCCCC2CCl)n1.
What is the InChIKey of 2-[2-(chloromethyl)piperidin-1-yl]-6-ethoxypyridine?
The InChIKey is YRTNRDHAGCGENI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-2-17-13-8-5-7-12(15-13)16-9-4-3-6-11(16)10-14/h5,7-8,11H,2-4,6,9-10H2,1H3.
What are the key properties of 2-[2-(chloromethyl)piperidin-1-yl]-6-ethoxypyridine?
2-[2-(chloromethyl)piperidin-1-yl]-6-ethoxypyridine has a molecular weight of 254.76 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(chloromethyl)piperidin-1-yl]-6-ethoxypyridine is sourced from PubChem (CID 55212201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).