3-methyl-4-(piperidin-4-ylmethoxy)pyridine;dihydrochloride

C12H20Cl2N2O — CID 154582386

IUPAC3-methyl-4-(piperidin-4-ylmethoxy)pyridine;dihydrochloride
SMILESCc1cnccc1OCC1CCNCC1.Cl.Cl
InChIInChI=1S/C12H18N2O.2ClH/c1-10-8-14-7-4-12(10)15-9-11-2-5-13-6-3-11;;/h4,7-8,11,13H,2-3,5-6,9H2,1H3;2*1H
InChIKeyDFOIELJKPRZXSG-UHFFFAOYSA-N
MW279.21 g/mol
LogP2.61
Rot. Bonds3

About 3-methyl-4-(piperidin-4-ylmethoxy)pyridine;dihydrochloride

3-methyl-4-(piperidin-4-ylmethoxy)pyridine;dihydrochloride (PubChem CID 154582386) has the molecular formula C12H20Cl2N2O and a molecular weight of 279.21 g/mol. Its IUPAC name is 3-methyl-4-(piperidin-4-ylmethoxy)pyridine;dihydrochloride.

Molecular Properties

Compound Name3-methyl-4-(piperidin-4-ylmethoxy)pyridine;dihydrochloride
PubChem CID154582386
Molecular FormulaC12H20Cl2N2O
Molecular Weight279.21 g/mol
Exact Mass278.10
IUPAC Name3-methyl-4-(piperidin-4-ylmethoxy)pyridine;dihydrochloride
SMILESCc1cnccc1OCC1CCNCC1.Cl.Cl
InChIInChI=1S/C12H18N2O.2ClH/c1-10-8-14-7-4-12(10)15-9-11-2-5-13-6-3-11;;/h4,7-8,11,13H,2-3,5-6,9H2,1H3;2*1H
InChIKeyDFOIELJKPRZXSG-UHFFFAOYSA-N
XLogP2.61
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.21
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-4-(piperidin-4-ylmethoxy)pyridine
CID 104779217
4-(piperidin-4-ylmethoxy)-3-(trifluoromethyl)pyridine
CID 166105232
4-fluoro-3-(piperidin-4-ylmethoxy)pyridine
CID 142361424
3-chloro-4-[4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]pyridine
CID 155800170
2-cyclopropyl-1-[4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]ethanone
CID 155800227
2-(piperidin-4-ylmethoxy)pyrazine;hydrochloride
CID 71636924
3-(cyclopropylmethoxy)-4-methoxypyridine
CID 150318193
4-[[1-(5-bromo-2-pyridinyl)piperidin-4-yl]methoxy]-3-methylpyridine
CID 155974715
2-cyclopropyl-4-[4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]pyrimidine
CID 155800048
ethane;4-ethoxy-3-methylpyridine
CID 177233068
[4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]-morpholin-4-ylmethanone
CID 155800726
5-[[4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]methyl]-1,3-thiazole
CID 163348061

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(piperidin-4-ylmethoxy)pyridine;dihydrochloride?
The IUPAC name of 3-methyl-4-(piperidin-4-ylmethoxy)pyridine;dihydrochloride (CID 154582386) is 3-methyl-4-(piperidin-4-ylmethoxy)pyridine;dihydrochloride.
What is the SMILES notation for 3-methyl-4-(piperidin-4-ylmethoxy)pyridine;dihydrochloride?
The canonical SMILES for 3-methyl-4-(piperidin-4-ylmethoxy)pyridine;dihydrochloride is Cc1cnccc1OCC1CCNCC1.Cl.Cl.
What is the InChIKey of 3-methyl-4-(piperidin-4-ylmethoxy)pyridine;dihydrochloride?
The InChIKey is DFOIELJKPRZXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O.2ClH/c1-10-8-14-7-4-12(10)15-9-11-2-5-13-6-3-11;;/h4,7-8,11,13H,2-3,5-6,9H2,1H3;2*1H.
What are the key properties of 3-methyl-4-(piperidin-4-ylmethoxy)pyridine;dihydrochloride?
3-methyl-4-(piperidin-4-ylmethoxy)pyridine;dihydrochloride has a molecular weight of 279.21 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(piperidin-4-ylmethoxy)pyridine;dihydrochloride is sourced from PubChem (CID 154582386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).