[1-(2-methoxy-4-pyridinyl)-4-methylpiperidin-4-yl]methanamine

C13H21N3O — CID 107160457

IUPAC[1-(2-methoxy-4-pyridinyl)-4-methylpiperidin-4-yl]methanamine
SMILESCOc1cc(N2CCC(C)(CN)CC2)ccn1
InChIInChI=1S/C13H21N3O/c1-13(10-14)4-7-16(8-5-13)11-3-6-15-12(9-11)17-2/h3,6,9H,4-5,7-8,10,14H2,1-2H3
InChIKeyXSHIGUJPQOETFF-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.66
Rot. Bonds3

About [1-(2-methoxy-4-pyridinyl)-4-methylpiperidin-4-yl]methanamine

[1-(2-methoxy-4-pyridinyl)-4-methylpiperidin-4-yl]methanamine (PubChem CID 107160457) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is [1-(2-methoxy-4-pyridinyl)-4-methylpiperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-(2-methoxy-4-pyridinyl)-4-methylpiperidin-4-yl]methanamine
PubChem CID107160457
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name[1-(2-methoxy-4-pyridinyl)-4-methylpiperidin-4-yl]methanamine
SMILESCOc1cc(N2CCC(C)(CN)CC2)ccn1
InChIInChI=1S/C13H21N3O/c1-13(10-14)4-7-16(8-5-13)11-3-6-15-12(9-11)17-2/h3,6,9H,4-5,7-8,10,14H2,1-2H3
InChIKeyXSHIGUJPQOETFF-UHFFFAOYSA-N
XLogP1.66
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 ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxy-4-pyridinyl)-3-methylpyrrolidin-3-ol
CID 103357727
4-[4-(2-bromoethoxy)piperidin-1-yl]-2-methoxypyridine
CID 82701054
2-chloro-4-(4-ethyl-4-methylpiperidin-1-yl)pyridine
CID 103756719
(1R,5R)-3-(2-methoxy-4-pyridinyl)-3-azabicyclo[3.2.1]octan-8-amine
CID 139504080
1-[1-(2-methoxy-4-pyridinyl)piperidin-4-yl]pyrazol-3-amine
CID 107110261
[1-(3-chloro-2-pyridinyl)-4-methylpiperidin-4-yl]methanamine
CID 107160290
[4-(4,4-dimethylazepan-1-yl)-2-pyridinyl]methanamine
CID 65283213
4-[3-(2-chloroethyl)pyrrolidin-1-yl]-2-methoxypyridine
CID 114800882
[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-methylpiperidin-4-yl]methanamine
CID 107160419
4-(3-chloro-4-methylpiperidin-1-yl)-2-methoxypyridine
CID 102960739
1-(2-methoxy-4-pyridinyl)-2-methylpiperidine-2-carboxylic acid
CID 113430727
tert-butyl 7-(2-methoxy-4-pyridinyl)-2,7-diazaspiro[4.4]nonane-2-carboxylate
CID 135301753

Frequently Asked Questions

What is the IUPAC name of [1-(2-methoxy-4-pyridinyl)-4-methylpiperidin-4-yl]methanamine?
The IUPAC name of [1-(2-methoxy-4-pyridinyl)-4-methylpiperidin-4-yl]methanamine (CID 107160457) is [1-(2-methoxy-4-pyridinyl)-4-methylpiperidin-4-yl]methanamine.
What is the SMILES notation for [1-(2-methoxy-4-pyridinyl)-4-methylpiperidin-4-yl]methanamine?
The canonical SMILES for [1-(2-methoxy-4-pyridinyl)-4-methylpiperidin-4-yl]methanamine is COc1cc(N2CCC(C)(CN)CC2)ccn1.
What is the InChIKey of [1-(2-methoxy-4-pyridinyl)-4-methylpiperidin-4-yl]methanamine?
The InChIKey is XSHIGUJPQOETFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-13(10-14)4-7-16(8-5-13)11-3-6-15-12(9-11)17-2/h3,6,9H,4-5,7-8,10,14H2,1-2H3.
What are the key properties of [1-(2-methoxy-4-pyridinyl)-4-methylpiperidin-4-yl]methanamine?
[1-(2-methoxy-4-pyridinyl)-4-methylpiperidin-4-yl]methanamine has a molecular weight of 235.33 g/mol, XLogP of 1.66, 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)-4-methylpiperidin-4-yl]methanamine is sourced from PubChem (CID 107160457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).