1-[6-(3-methoxy-4-methylpiperidin-1-yl)-3-pyridinyl]-N-methylmethanamine

C14H23N3O — CID 102961289

IUPAC1-[6-(3-methoxy-4-methylpiperidin-1-yl)-3-pyridinyl]-N-methylmethanamine
SMILESCNCc1ccc(N2CCC(C)C(OC)C2)nc1
InChIInChI=1S/C14H23N3O/c1-11-6-7-17(10-13(11)18-3)14-5-4-12(8-15-2)9-16-14/h4-5,9,11,13,15H,6-8,10H2,1-3H3
InChIKeyDBRLQIUTWJXOMC-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.66
Rot. Bonds4

About 1-[6-(3-methoxy-4-methylpiperidin-1-yl)-3-pyridinyl]-N-methylmethanamine

1-[6-(3-methoxy-4-methylpiperidin-1-yl)-3-pyridinyl]-N-methylmethanamine (PubChem CID 102961289) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 1-[6-(3-methoxy-4-methylpiperidin-1-yl)-3-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[6-(3-methoxy-4-methylpiperidin-1-yl)-3-pyridinyl]-N-methylmethanamine
PubChem CID102961289
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name1-[6-(3-methoxy-4-methylpiperidin-1-yl)-3-pyridinyl]-N-methylmethanamine
SMILESCNCc1ccc(N2CCC(C)C(OC)C2)nc1
InChIInChI=1S/C14H23N3O/c1-11-6-7-17(10-13(11)18-3)14-5-4-12(8-15-2)9-16-14/h4-5,9,11,13,15H,6-8,10H2,1-3H3
InChIKeyDBRLQIUTWJXOMC-UHFFFAOYSA-N
XLogP1.66
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 ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(3-methoxy-4-methylpiperidin-1-yl)-3-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[6-(3-methoxy-4-methylpiperidin-1-yl)-3-pyridinyl]-N-methylmethanamine (CID 102961289) is 1-[6-(3-methoxy-4-methylpiperidin-1-yl)-3-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[6-(3-methoxy-4-methylpiperidin-1-yl)-3-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[6-(3-methoxy-4-methylpiperidin-1-yl)-3-pyridinyl]-N-methylmethanamine is CNCc1ccc(N2CCC(C)C(OC)C2)nc1.
What is the InChIKey of 1-[6-(3-methoxy-4-methylpiperidin-1-yl)-3-pyridinyl]-N-methylmethanamine?
The InChIKey is DBRLQIUTWJXOMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-11-6-7-17(10-13(11)18-3)14-5-4-12(8-15-2)9-16-14/h4-5,9,11,13,15H,6-8,10H2,1-3H3.
What are the key properties of 1-[6-(3-methoxy-4-methylpiperidin-1-yl)-3-pyridinyl]-N-methylmethanamine?
1-[6-(3-methoxy-4-methylpiperidin-1-yl)-3-pyridinyl]-N-methylmethanamine has a molecular weight of 249.36 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3-methoxy-4-methylpiperidin-1-yl)-3-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 102961289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).