[4-[(4-methyl-3-pyridinyl)methyl]morpholin-2-yl]methanamine;hydrochloride

C12H20ClN3O — CID 120844442

IUPAC[4-[(4-methyl-3-pyridinyl)methyl]morpholin-2-yl]methanamine;hydrochloride
SMILESCc1ccncc1CN1CCOC(CN)C1.Cl
InChIInChI=1S/C12H19N3O.ClH/c1-10-2-3-14-7-11(10)8-15-4-5-16-12(6-13)9-15;/h2-3,7,12H,4-6,8-9,13H2,1H3;1H
InChIKeyVBEATFPLZMBCTA-UHFFFAOYSA-N
MW257.76 g/mol
LogP0.97
Rot. Bonds3

About [4-[(4-methyl-3-pyridinyl)methyl]morpholin-2-yl]methanamine;hydrochloride

[4-[(4-methyl-3-pyridinyl)methyl]morpholin-2-yl]methanamine;hydrochloride (PubChem CID 120844442) has the molecular formula C12H20ClN3O and a molecular weight of 257.76 g/mol. Its IUPAC name is [4-[(4-methyl-3-pyridinyl)methyl]morpholin-2-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[4-[(4-methyl-3-pyridinyl)methyl]morpholin-2-yl]methanamine;hydrochloride
PubChem CID120844442
Molecular FormulaC12H20ClN3O
Molecular Weight257.76 g/mol
Exact Mass257.13
IUPAC Name[4-[(4-methyl-3-pyridinyl)methyl]morpholin-2-yl]methanamine;hydrochloride
SMILESCc1ccncc1CN1CCOC(CN)C1.Cl
InChIInChI=1S/C12H19N3O.ClH/c1-10-2-3-14-7-11(10)8-15-4-5-16-12(6-13)9-15;/h2-3,7,12H,4-6,8-9,13H2,1H3;1H
InChIKeyVBEATFPLZMBCTA-UHFFFAOYSA-N
XLogP0.97
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 ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]methanamine
CID 114393371
4-[2-[(2R)-4-[(4-methyl-3-pyridinyl)methyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
CID 137149630
1-[1-[(4-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]ethanamine;hydrochloride
CID 120843370
[4-[[2-(methoxymethyl)phenyl]methyl]morpholin-2-yl]methanamine
CID 114397886
[4-[(2-methylquinolin-4-yl)methyl]morpholin-2-yl]methanamine
CID 79235234
[4-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]morpholin-2-yl]methanamine
CID 120844424
[4-[(4-chloro-2-fluorophenyl)methyl]morpholin-2-yl]methanamine;hydrochloride
CID 120844387
[4-[(2,4-dichlorophenyl)methyl]morpholin-2-yl]methanamine
CID 114393379
[4-[(3-amino-4-pyridinyl)methyl]morpholin-2-yl]methyl acetate
CID 89443070
[4-[(2,3,4-trimethoxyphenyl)methyl]morpholin-2-yl]methanamine
CID 114393343
[(2S)-4-[(1-propan-2-ylimidazol-2-yl)methyl]morpholin-2-yl]methanamine
CID 95211553
[4-[(2-propylpyrazol-3-yl)methyl]morpholin-2-yl]methanamine
CID 114556434

Frequently Asked Questions

What is the IUPAC name of [4-[(4-methyl-3-pyridinyl)methyl]morpholin-2-yl]methanamine;hydrochloride?
The IUPAC name of [4-[(4-methyl-3-pyridinyl)methyl]morpholin-2-yl]methanamine;hydrochloride (CID 120844442) is [4-[(4-methyl-3-pyridinyl)methyl]morpholin-2-yl]methanamine;hydrochloride.
What is the SMILES notation for [4-[(4-methyl-3-pyridinyl)methyl]morpholin-2-yl]methanamine;hydrochloride?
The canonical SMILES for [4-[(4-methyl-3-pyridinyl)methyl]morpholin-2-yl]methanamine;hydrochloride is Cc1ccncc1CN1CCOC(CN)C1.Cl.
What is the InChIKey of [4-[(4-methyl-3-pyridinyl)methyl]morpholin-2-yl]methanamine;hydrochloride?
The InChIKey is VBEATFPLZMBCTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O.ClH/c1-10-2-3-14-7-11(10)8-15-4-5-16-12(6-13)9-15;/h2-3,7,12H,4-6,8-9,13H2,1H3;1H.
What are the key properties of [4-[(4-methyl-3-pyridinyl)methyl]morpholin-2-yl]methanamine;hydrochloride?
[4-[(4-methyl-3-pyridinyl)methyl]morpholin-2-yl]methanamine;hydrochloride has a molecular weight of 257.76 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-methyl-3-pyridinyl)methyl]morpholin-2-yl]methanamine;hydrochloride is sourced from PubChem (CID 120844442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).