6-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-N-methylpyridin-2-amine

C14H23N3O — CID 102966687

IUPAC6-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-N-methylpyridin-2-amine
SMILESCNc1cccc(CN2CCC(C)C(OC)C2)n1
InChIInChI=1S/C14H23N3O/c1-11-7-8-17(10-13(11)18-3)9-12-5-4-6-14(15-2)16-12/h4-6,11,13H,7-10H2,1-3H3,(H,15,16)
InChIKeyTWVNLCODYUNVCL-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.98
Rot. Bonds4

About 6-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-N-methylpyridin-2-amine

6-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-N-methylpyridin-2-amine (PubChem CID 102966687) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 6-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-N-methylpyridin-2-amine.

Molecular Properties

Compound Name6-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-N-methylpyridin-2-amine
PubChem CID102966687
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name6-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-N-methylpyridin-2-amine
SMILESCNc1cccc(CN2CCC(C)C(OC)C2)n1
InChIInChI=1S/C14H23N3O/c1-11-7-8-17(10-13(11)18-3)9-12-5-4-6-14(15-2)16-12/h4-6,11,13H,7-10H2,1-3H3,(H,15,16)
InChIKeyTWVNLCODYUNVCL-UHFFFAOYSA-N
XLogP1.98
TPSA37.39 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 ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-N-methylpyridin-2-amine?
The IUPAC name of 6-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-N-methylpyridin-2-amine (CID 102966687) is 6-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-N-methylpyridin-2-amine.
What is the SMILES notation for 6-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-N-methylpyridin-2-amine?
The canonical SMILES for 6-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-N-methylpyridin-2-amine is CNc1cccc(CN2CCC(C)C(OC)C2)n1.
What is the InChIKey of 6-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-N-methylpyridin-2-amine?
The InChIKey is TWVNLCODYUNVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-11-7-8-17(10-13(11)18-3)9-12-5-4-6-14(15-2)16-12/h4-6,11,13H,7-10H2,1-3H3,(H,15,16).
What are the key properties of 6-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-N-methylpyridin-2-amine?
6-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-N-methylpyridin-2-amine has a molecular weight of 249.36 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-N-methylpyridin-2-amine is sourced from PubChem (CID 102966687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).