[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]methanamine;hydrochloride

C12H20ClN3O — CID 159598247

IUPAC[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]methanamine;hydrochloride
SMILESCN1CCC(Oc2cc(CN)ccn2)CC1.Cl
InChIInChI=1S/C12H19N3O.ClH/c1-15-6-3-11(4-7-15)16-12-8-10(9-13)2-5-14-12;/h2,5,8,11H,3-4,6-7,9,13H2,1H3;1H
InChIKeyMLCYRQSWJHXSNW-UHFFFAOYSA-N
MW257.76 g/mol
LogP1.44
Rot. Bonds3

About [2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]methanamine;hydrochloride

[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]methanamine;hydrochloride (PubChem CID 159598247) has the molecular formula C12H20ClN3O and a molecular weight of 257.76 g/mol. Its IUPAC name is [2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]methanamine;hydrochloride
PubChem CID159598247
Molecular FormulaC12H20ClN3O
Molecular Weight257.76 g/mol
Exact Mass257.13
IUPAC Name[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]methanamine;hydrochloride
SMILESCN1CCC(Oc2cc(CN)ccn2)CC1.Cl
InChIInChI=1S/C12H19N3O.ClH/c1-15-6-3-11(4-7-15)16-12-8-10(9-13)2-5-14-12;/h2,5,8,11H,3-4,6-7,9,13H2,1H3;1H
InChIKeyMLCYRQSWJHXSNW-UHFFFAOYSA-N
XLogP1.44
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[2-(1-methylpiperidin-4-yl)ethoxy]-4-pyridinyl]methanamine
CID 66689440
[2-(3-methylcyclohexyl)oxy-4-pyridinyl]methanamine
CID 43126965
N-methyl-2-(1-methylpiperidin-4-yl)oxypyridin-4-amine;dihydrochloride
CID 66688370
[3-(1-methylpiperidin-4-yl)oxyphenyl]methanamine;hydrochloride
CID 68965595
[4-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]methanamine
CID 62288053
[2-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-4-pyridinyl]methanamine
CID 124673126
2-cyclobutyloxy-4-ethylpyridine
CID 118553785
(2-ethoxy-4-pyridinyl)methanamine;3-methyl-3-azabicyclo[3.2.1]octane
CID 163390474
[3-[[4-(aminomethyl)-2-pyridinyl]oxy]piperidin-1-yl]-phenylmethanone
CID 122516201
4-(chloromethyl)-2-cyclopentyloxypyridine
CID 61257863
4-(1-methylpiperidin-4-yl)oxypyrimidine
CID 123827730
4-(4-methylpiperidin-1-yl)-2-[1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-yl]oxypyridine
CID 170180705

Frequently Asked Questions

What is the IUPAC name of [2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]methanamine;hydrochloride?
The IUPAC name of [2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]methanamine;hydrochloride (CID 159598247) is [2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]methanamine;hydrochloride.
What is the SMILES notation for [2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]methanamine;hydrochloride?
The canonical SMILES for [2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]methanamine;hydrochloride is CN1CCC(Oc2cc(CN)ccn2)CC1.Cl.
What is the InChIKey of [2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]methanamine;hydrochloride?
The InChIKey is MLCYRQSWJHXSNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O.ClH/c1-15-6-3-11(4-7-15)16-12-8-10(9-13)2-5-14-12;/h2,5,8,11H,3-4,6-7,9,13H2,1H3;1H.
What are the key properties of [2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]methanamine;hydrochloride?
[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]methanamine;hydrochloride has a molecular weight of 257.76 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]methanamine;hydrochloride is sourced from PubChem (CID 159598247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).