3-(oxan-4-ylmethyl)pyridine;hydrochloride

C11H16ClNO — CID 175648027

IUPAC3-(oxan-4-ylmethyl)pyridine;hydrochloride
SMILESCl.c1cncc(CC2CCOCC2)c1
InChIInChI=1S/C11H15NO.ClH/c1-2-11(9-12-5-1)8-10-3-6-13-7-4-10;/h1-2,5,9-10H,3-4,6-8H2;1H
InChIKeyGOULZAJSUXWHKH-UHFFFAOYSA-N
MW213.71 g/mol
LogP2.47
Rot. Bonds2

About 3-(oxan-4-ylmethyl)pyridine;hydrochloride

3-(oxan-4-ylmethyl)pyridine;hydrochloride (PubChem CID 175648027) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is 3-(oxan-4-ylmethyl)pyridine;hydrochloride.

Molecular Properties

Compound Name3-(oxan-4-ylmethyl)pyridine;hydrochloride
PubChem CID175648027
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC Name3-(oxan-4-ylmethyl)pyridine;hydrochloride
SMILESCl.c1cncc(CC2CCOCC2)c1
InChIInChI=1S/C11H15NO.ClH/c1-2-11(9-12-5-1)8-10-3-6-13-7-4-10;/h1-2,5,9-10H,3-4,6-8H2;1H
InChIKeyGOULZAJSUXWHKH-UHFFFAOYSA-N
XLogP2.47
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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N-(2-pyridin-3-ylethyl)oxepan-4-amine
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3-[(1-tert-butylpiperidin-4-yl)methyl]pyridine
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[9-(pyridin-3-ylmethyl)spiro[5.5]undecan-3-yl]methanol
CID 15234849
3-[[4-(pyridin-3-ylmethyl)piperidin-1-yl]methyl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]oxazepine
CID 154801740
3-[[1-(piperidin-4-ylmethyl)piperidin-4-yl]methyl]pyridine;hydrochloride
CID 120849136
3-(pyridin-3-ylmethyl)cycloheptan-1-amine
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3-(2-phenylethyl)pyridine;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 3-(oxan-4-ylmethyl)pyridine;hydrochloride?
The IUPAC name of 3-(oxan-4-ylmethyl)pyridine;hydrochloride (CID 175648027) is 3-(oxan-4-ylmethyl)pyridine;hydrochloride.
What is the SMILES notation for 3-(oxan-4-ylmethyl)pyridine;hydrochloride?
The canonical SMILES for 3-(oxan-4-ylmethyl)pyridine;hydrochloride is Cl.c1cncc(CC2CCOCC2)c1.
What is the InChIKey of 3-(oxan-4-ylmethyl)pyridine;hydrochloride?
The InChIKey is GOULZAJSUXWHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO.ClH/c1-2-11(9-12-5-1)8-10-3-6-13-7-4-10;/h1-2,5,9-10H,3-4,6-8H2;1H.
What are the key properties of 3-(oxan-4-ylmethyl)pyridine;hydrochloride?
3-(oxan-4-ylmethyl)pyridine;hydrochloride has a molecular weight of 213.71 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-4-ylmethyl)pyridine;hydrochloride is sourced from PubChem (CID 175648027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).