(4-methoxy-1-pyridin-2-ylpiperidin-2-yl)methanamine

C12H19N3O — CID 112622846

IUPAC(4-methoxy-1-pyridin-2-ylpiperidin-2-yl)methanamine
SMILESCOC1CCN(c2ccccn2)C(CN)C1
InChIInChI=1S/C12H19N3O/c1-16-11-5-7-15(10(8-11)9-13)12-4-2-3-6-14-12/h2-4,6,10-11H,5,7-9,13H2,1H3
InChIKeyQTQTXSSSKTYOEH-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.02
Rot. Bonds3

About (4-methoxy-1-pyridin-2-ylpiperidin-2-yl)methanamine

(4-methoxy-1-pyridin-2-ylpiperidin-2-yl)methanamine (PubChem CID 112622846) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is (4-methoxy-1-pyridin-2-ylpiperidin-2-yl)methanamine.

Molecular Properties

Compound Name(4-methoxy-1-pyridin-2-ylpiperidin-2-yl)methanamine
PubChem CID112622846
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name(4-methoxy-1-pyridin-2-ylpiperidin-2-yl)methanamine
SMILESCOC1CCN(c2ccccn2)C(CN)C1
InChIInChI=1S/C12H19N3O/c1-16-11-5-7-15(10(8-11)9-13)12-4-2-3-6-14-12/h2-4,6,10-11H,5,7-9,13H2,1H3
InChIKeyQTQTXSSSKTYOEH-UHFFFAOYSA-N
XLogP1.02
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-methoxy-1-pyridin-2-ylpiperidin-2-yl)methanamine?
The IUPAC name of (4-methoxy-1-pyridin-2-ylpiperidin-2-yl)methanamine (CID 112622846) is (4-methoxy-1-pyridin-2-ylpiperidin-2-yl)methanamine.
What is the SMILES notation for (4-methoxy-1-pyridin-2-ylpiperidin-2-yl)methanamine?
The canonical SMILES for (4-methoxy-1-pyridin-2-ylpiperidin-2-yl)methanamine is COC1CCN(c2ccccn2)C(CN)C1.
What is the InChIKey of (4-methoxy-1-pyridin-2-ylpiperidin-2-yl)methanamine?
The InChIKey is QTQTXSSSKTYOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-16-11-5-7-15(10(8-11)9-13)12-4-2-3-6-14-12/h2-4,6,10-11H,5,7-9,13H2,1H3.
What are the key properties of (4-methoxy-1-pyridin-2-ylpiperidin-2-yl)methanamine?
(4-methoxy-1-pyridin-2-ylpiperidin-2-yl)methanamine has a molecular weight of 221.30 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-1-pyridin-2-ylpiperidin-2-yl)methanamine is sourced from PubChem (CID 112622846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).