1-[(2-methoxy-4-pyridinyl)methyl]-3-methylpiperidin-4-amine

C13H21N3O — CID 62993484

IUPAC1-[(2-methoxy-4-pyridinyl)methyl]-3-methylpiperidin-4-amine
SMILESCOc1cc(CN2CCC(N)C(C)C2)ccn1
InChIInChI=1S/C13H21N3O/c1-10-8-16(6-4-12(10)14)9-11-3-5-15-13(7-11)17-2/h3,5,7,10,12H,4,6,8-9,14H2,1-2H3
InChIKeyDWMUILMCYAHPEW-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.26
Rot. Bonds3

About 1-[(2-methoxy-4-pyridinyl)methyl]-3-methylpiperidin-4-amine

1-[(2-methoxy-4-pyridinyl)methyl]-3-methylpiperidin-4-amine (PubChem CID 62993484) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-[(2-methoxy-4-pyridinyl)methyl]-3-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-[(2-methoxy-4-pyridinyl)methyl]-3-methylpiperidin-4-amine
PubChem CID62993484
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name1-[(2-methoxy-4-pyridinyl)methyl]-3-methylpiperidin-4-amine
SMILESCOc1cc(CN2CCC(N)C(C)C2)ccn1
InChIInChI=1S/C13H21N3O/c1-10-8-16(6-4-12(10)14)9-11-3-5-15-13(7-11)17-2/h3,5,7,10,12H,4,6,8-9,14H2,1-2H3
InChIKeyDWMUILMCYAHPEW-UHFFFAOYSA-N
XLogP1.26
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[(2-methoxy-4-pyridinyl)methyl]pyrrolidin-3-yl]methanamine
CID 62994364
1-[(3,4-dichlorophenyl)methyl]-3-methylpiperidin-4-amine
CID 79879309
(3S,4S)-1-[(2-methoxy-4-pyridinyl)methyl]-4-phenylpiperidin-3-ol
CID 163309012
2-[(2-methoxy-4-pyridinyl)methyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 79939483
N-[[1-[(2-methoxy-4-pyridinyl)methyl]pyrrolidin-3-yl]methyl]propan-2-amine
CID 55142104
2-[(2-methoxy-4-pyridinyl)methyl]-3,4,5,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a][1,4]diazepine
CID 79926333
N-[1-[(2-methoxy-4-pyridinyl)methyl]piperidin-3-yl]-N-methylpyrimidin-2-amine
CID 171995780
(3S,4S)-1-benzyl-3-methylpiperidin-4-amine
CID 34178997
1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-methylpiperidin-4-amine
CID 79874611
N-[1-[(2-methoxy-4-pyridinyl)methyl]piperidin-3-yl]pyrimidin-4-amine
CID 171995771
3-methyl-1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-amine
CID 79880248
3-methyl-1-[(3-phenoxyphenyl)methyl]piperidin-4-amine;hydrochloride
CID 119925173

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxy-4-pyridinyl)methyl]-3-methylpiperidin-4-amine?
The IUPAC name of 1-[(2-methoxy-4-pyridinyl)methyl]-3-methylpiperidin-4-amine (CID 62993484) is 1-[(2-methoxy-4-pyridinyl)methyl]-3-methylpiperidin-4-amine.
What is the SMILES notation for 1-[(2-methoxy-4-pyridinyl)methyl]-3-methylpiperidin-4-amine?
The canonical SMILES for 1-[(2-methoxy-4-pyridinyl)methyl]-3-methylpiperidin-4-amine is COc1cc(CN2CCC(N)C(C)C2)ccn1.
What is the InChIKey of 1-[(2-methoxy-4-pyridinyl)methyl]-3-methylpiperidin-4-amine?
The InChIKey is DWMUILMCYAHPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-10-8-16(6-4-12(10)14)9-11-3-5-15-13(7-11)17-2/h3,5,7,10,12H,4,6,8-9,14H2,1-2H3.
What are the key properties of 1-[(2-methoxy-4-pyridinyl)methyl]-3-methylpiperidin-4-amine?
1-[(2-methoxy-4-pyridinyl)methyl]-3-methylpiperidin-4-amine has a molecular weight of 235.33 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxy-4-pyridinyl)methyl]-3-methylpiperidin-4-amine is sourced from PubChem (CID 62993484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).