[4-methoxy-1-(5-methoxy-2-pyridinyl)piperidin-2-yl]methanamine

C13H21N3O2 — CID 106504519

IUPAC[4-methoxy-1-(5-methoxy-2-pyridinyl)piperidin-2-yl]methanamine
SMILESCOc1ccc(N2CCC(OC)CC2CN)nc1
InChIInChI=1S/C13H21N3O2/c1-17-11-5-6-16(10(7-11)8-14)13-4-3-12(18-2)9-15-13/h3-4,9-11H,5-8,14H2,1-2H3
InChIKeyVOMHEZHKRYHIAN-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.03
Rot. Bonds4

About [4-methoxy-1-(5-methoxy-2-pyridinyl)piperidin-2-yl]methanamine

[4-methoxy-1-(5-methoxy-2-pyridinyl)piperidin-2-yl]methanamine (PubChem CID 106504519) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is [4-methoxy-1-(5-methoxy-2-pyridinyl)piperidin-2-yl]methanamine.

Molecular Properties

Compound Name[4-methoxy-1-(5-methoxy-2-pyridinyl)piperidin-2-yl]methanamine
PubChem CID106504519
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name[4-methoxy-1-(5-methoxy-2-pyridinyl)piperidin-2-yl]methanamine
SMILESCOc1ccc(N2CCC(OC)CC2CN)nc1
InChIInChI=1S/C13H21N3O2/c1-17-11-5-6-16(10(7-11)8-14)13-4-3-12(18-2)9-15-13/h3-4,9-11H,5-8,14H2,1-2H3
InChIKeyVOMHEZHKRYHIAN-UHFFFAOYSA-N
XLogP1.03
TPSA60.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-methoxy-1-(5-methoxy-2-pyridinyl)piperidin-2-yl]methanamine?
The IUPAC name of [4-methoxy-1-(5-methoxy-2-pyridinyl)piperidin-2-yl]methanamine (CID 106504519) is [4-methoxy-1-(5-methoxy-2-pyridinyl)piperidin-2-yl]methanamine.
What is the SMILES notation for [4-methoxy-1-(5-methoxy-2-pyridinyl)piperidin-2-yl]methanamine?
The canonical SMILES for [4-methoxy-1-(5-methoxy-2-pyridinyl)piperidin-2-yl]methanamine is COc1ccc(N2CCC(OC)CC2CN)nc1.
What is the InChIKey of [4-methoxy-1-(5-methoxy-2-pyridinyl)piperidin-2-yl]methanamine?
The InChIKey is VOMHEZHKRYHIAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-17-11-5-6-16(10(7-11)8-14)13-4-3-12(18-2)9-15-13/h3-4,9-11H,5-8,14H2,1-2H3.
What are the key properties of [4-methoxy-1-(5-methoxy-2-pyridinyl)piperidin-2-yl]methanamine?
[4-methoxy-1-(5-methoxy-2-pyridinyl)piperidin-2-yl]methanamine has a molecular weight of 251.33 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methoxy-1-(5-methoxy-2-pyridinyl)piperidin-2-yl]methanamine is sourced from PubChem (CID 106504519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).