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

C14H23N3O — CID 102956575

IUPAC[3-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-2-pyridinyl]methanamine
SMILESCOC1CN(Cc2cccnc2CN)CCC1C
InChIInChI=1S/C14H23N3O/c1-11-5-7-17(10-14(11)18-2)9-12-4-3-6-16-13(12)8-15/h3-4,6,11,14H,5,7-10,15H2,1-2H3
InChIKeyMYJBSQHHNBIXLP-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.40
Rot. Bonds4

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

[3-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-2-pyridinyl]methanamine (PubChem CID 102956575) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is [3-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[3-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-2-pyridinyl]methanamine
PubChem CID102956575
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name[3-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-2-pyridinyl]methanamine
SMILESCOC1CN(Cc2cccnc2CN)CCC1C
InChIInChI=1S/C14H23N3O/c1-11-5-7-17(10-14(11)18-2)9-12-4-3-6-16-13(12)8-15/h3-4,6,11,14H,5,7-10,15H2,1-2H3
InChIKeyMYJBSQHHNBIXLP-UHFFFAOYSA-N
XLogP1.40
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-2-pyridinyl]methanamine?
The IUPAC name of [3-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-2-pyridinyl]methanamine (CID 102956575) is [3-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-2-pyridinyl]methanamine.
What is the SMILES notation for [3-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-2-pyridinyl]methanamine?
The canonical SMILES for [3-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-2-pyridinyl]methanamine is COC1CN(Cc2cccnc2CN)CCC1C.
What is the InChIKey of [3-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-2-pyridinyl]methanamine?
The InChIKey is MYJBSQHHNBIXLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-11-5-7-17(10-14(11)18-2)9-12-4-3-6-16-13(12)8-15/h3-4,6,11,14H,5,7-10,15H2,1-2H3.
What are the key properties of [3-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-2-pyridinyl]methanamine?
[3-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-2-pyridinyl]methanamine has a molecular weight of 249.36 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-2-pyridinyl]methanamine is sourced from PubChem (CID 102956575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).