3-chloro-4-[4-(methoxymethyl)piperidin-1-yl]pyridine

C12H17ClN2O — CID 71977831

IUPAC3-chloro-4-[4-(methoxymethyl)piperidin-1-yl]pyridine
SMILESCOCC1CCN(c2ccncc2Cl)CC1
InChIInChI=1S/C12H17ClN2O/c1-16-9-10-3-6-15(7-4-10)12-2-5-14-8-11(12)13/h2,5,8,10H,3-4,6-7,9H2,1H3
InChIKeyGJINNMNQLUDLQL-UHFFFAOYSA-N
MW240.73 g/mol
LogP2.60
Rot. Bonds3

About 3-chloro-4-[4-(methoxymethyl)piperidin-1-yl]pyridine

3-chloro-4-[4-(methoxymethyl)piperidin-1-yl]pyridine (PubChem CID 71977831) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 3-chloro-4-[4-(methoxymethyl)piperidin-1-yl]pyridine.

Molecular Properties

Compound Name3-chloro-4-[4-(methoxymethyl)piperidin-1-yl]pyridine
PubChem CID71977831
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name3-chloro-4-[4-(methoxymethyl)piperidin-1-yl]pyridine
SMILESCOCC1CCN(c2ccncc2Cl)CC1
InChIInChI=1S/C12H17ClN2O/c1-16-9-10-3-6-15(7-4-10)12-2-5-14-8-11(12)13/h2,5,8,10H,3-4,6-7,9H2,1H3
InChIKeyGJINNMNQLUDLQL-UHFFFAOYSA-N
XLogP2.60
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 ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[4-(methoxymethyl)piperidin-1-yl]pyridine?
The IUPAC name of 3-chloro-4-[4-(methoxymethyl)piperidin-1-yl]pyridine (CID 71977831) is 3-chloro-4-[4-(methoxymethyl)piperidin-1-yl]pyridine.
What is the SMILES notation for 3-chloro-4-[4-(methoxymethyl)piperidin-1-yl]pyridine?
The canonical SMILES for 3-chloro-4-[4-(methoxymethyl)piperidin-1-yl]pyridine is COCC1CCN(c2ccncc2Cl)CC1.
What is the InChIKey of 3-chloro-4-[4-(methoxymethyl)piperidin-1-yl]pyridine?
The InChIKey is GJINNMNQLUDLQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-16-9-10-3-6-15(7-4-10)12-2-5-14-8-11(12)13/h2,5,8,10H,3-4,6-7,9H2,1H3.
What are the key properties of 3-chloro-4-[4-(methoxymethyl)piperidin-1-yl]pyridine?
3-chloro-4-[4-(methoxymethyl)piperidin-1-yl]pyridine has a molecular weight of 240.73 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[4-(methoxymethyl)piperidin-1-yl]pyridine is sourced from PubChem (CID 71977831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).