[4-methoxy-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidin-2-yl]methanamine

C15H25N3O2 — CID 115963754

IUPAC[4-methoxy-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidin-2-yl]methanamine
SMILESCOc1cc(C)nc(CN2CCC(OC)CC2CN)c1
InChIInChI=1S/C15H25N3O2/c1-11-6-15(20-3)7-12(17-11)10-18-5-4-14(19-2)8-13(18)9-16/h6-7,13-14H,4-5,8-10,16H2,1-3H3
InChIKeyBSLPXAGNNYGLCR-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.34
Rot. Bonds5

About [4-methoxy-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidin-2-yl]methanamine

[4-methoxy-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidin-2-yl]methanamine (PubChem CID 115963754) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is [4-methoxy-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidin-2-yl]methanamine.

Molecular Properties

Compound Name[4-methoxy-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidin-2-yl]methanamine
PubChem CID115963754
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name[4-methoxy-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidin-2-yl]methanamine
SMILESCOc1cc(C)nc(CN2CCC(OC)CC2CN)c1
InChIInChI=1S/C15H25N3O2/c1-11-6-15(20-3)7-12(17-11)10-18-5-4-14(19-2)8-13(18)9-16/h6-7,13-14H,4-5,8-10,16H2,1-3H3
InChIKeyBSLPXAGNNYGLCR-UHFFFAOYSA-N
XLogP1.34
TPSA60.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-methoxy-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidin-2-yl]methanamine?
The IUPAC name of [4-methoxy-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidin-2-yl]methanamine (CID 115963754) is [4-methoxy-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidin-2-yl]methanamine.
What is the SMILES notation for [4-methoxy-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidin-2-yl]methanamine?
The canonical SMILES for [4-methoxy-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidin-2-yl]methanamine is COc1cc(C)nc(CN2CCC(OC)CC2CN)c1.
What is the InChIKey of [4-methoxy-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidin-2-yl]methanamine?
The InChIKey is BSLPXAGNNYGLCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-11-6-15(20-3)7-12(17-11)10-18-5-4-14(19-2)8-13(18)9-16/h6-7,13-14H,4-5,8-10,16H2,1-3H3.
What are the key properties of [4-methoxy-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidin-2-yl]methanamine?
[4-methoxy-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidin-2-yl]methanamine has a molecular weight of 279.38 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methoxy-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidin-2-yl]methanamine is sourced from PubChem (CID 115963754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).