3-(2-piperidin-3-ylethoxy)pyridine;hydrochloride

C12H19ClN2O — CID 56830400

IUPAC3-(2-piperidin-3-ylethoxy)pyridine;hydrochloride
SMILESCl.c1cncc(OCCC2CCCNC2)c1
InChIInChI=1S/C12H18N2O.ClH/c1-3-11(9-13-6-1)5-8-15-12-4-2-7-14-10-12;/h2,4,7,10-11,13H,1,3,5-6,8-9H2;1H
InChIKeyCLNALYAGBVXROJ-UHFFFAOYSA-N
MW242.75 g/mol
LogP2.27
Rot. Bonds4

About 3-(2-piperidin-3-ylethoxy)pyridine;hydrochloride

3-(2-piperidin-3-ylethoxy)pyridine;hydrochloride (PubChem CID 56830400) has the molecular formula C12H19ClN2O and a molecular weight of 242.75 g/mol. Its IUPAC name is 3-(2-piperidin-3-ylethoxy)pyridine;hydrochloride.

Molecular Properties

Compound Name3-(2-piperidin-3-ylethoxy)pyridine;hydrochloride
PubChem CID56830400
Molecular FormulaC12H19ClN2O
Molecular Weight242.75 g/mol
Exact Mass242.12
IUPAC Name3-(2-piperidin-3-ylethoxy)pyridine;hydrochloride
SMILESCl.c1cncc(OCCC2CCCNC2)c1
InChIInChI=1S/C12H18N2O.ClH/c1-3-11(9-13-6-1)5-8-15-12-4-2-7-14-10-12;/h2,4,7,10-11,13H,1,3,5-6,8-9H2;1H
InChIKeyCLNALYAGBVXROJ-UHFFFAOYSA-N
XLogP2.27
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(azetidin-3-yl)ethoxy]pyridine
CID 107391839
(3R)-3-(2-phenoxyethyl)piperidine
CID 26192392
(3R)-3-[2-(3-ethoxyphenoxy)ethyl]piperidine
CID 86321619
3-[2-(3-chlorophenoxy)ethyl]piperidine
CID 22309129
3-(2-piperidin-3-ylethoxy)pyridazine
CID 62483890
(3R)-3-[2-(4-iodophenoxy)ethyl]piperidine
CID 86321285
2-[2-[(3R)-piperidin-3-yl]ethoxy]pyridine
CID 94409716
3-[2-(4-methylphenoxy)ethyl]piperidine
CID 45075559
3-(2-piperidin-2-ylethoxy)pyridine;hydrochloride
CID 56830402
(3R)-3-[2-(3-tert-butylphenoxy)ethyl]piperidine
CID 86321202
(3R)-3-[2-(3-propan-2-ylphenoxy)ethyl]piperidine
CID 86321208
2-(2-piperidin-3-ylethoxymethyl)pyrazine
CID 71636598

Frequently Asked Questions

What is the IUPAC name of 3-(2-piperidin-3-ylethoxy)pyridine;hydrochloride?
The IUPAC name of 3-(2-piperidin-3-ylethoxy)pyridine;hydrochloride (CID 56830400) is 3-(2-piperidin-3-ylethoxy)pyridine;hydrochloride.
What is the SMILES notation for 3-(2-piperidin-3-ylethoxy)pyridine;hydrochloride?
The canonical SMILES for 3-(2-piperidin-3-ylethoxy)pyridine;hydrochloride is Cl.c1cncc(OCCC2CCCNC2)c1.
What is the InChIKey of 3-(2-piperidin-3-ylethoxy)pyridine;hydrochloride?
The InChIKey is CLNALYAGBVXROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O.ClH/c1-3-11(9-13-6-1)5-8-15-12-4-2-7-14-10-12;/h2,4,7,10-11,13H,1,3,5-6,8-9H2;1H.
What are the key properties of 3-(2-piperidin-3-ylethoxy)pyridine;hydrochloride?
3-(2-piperidin-3-ylethoxy)pyridine;hydrochloride has a molecular weight of 242.75 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-piperidin-3-ylethoxy)pyridine;hydrochloride is sourced from PubChem (CID 56830400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).