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

C15H25N3O — CID 82891992

IUPAC1-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidin-4-yl]ethanamine
SMILESCOc1cc(C)nc(CN2CCC(C(C)N)CC2)c1
InChIInChI=1S/C15H25N3O/c1-11-8-15(19-3)9-14(17-11)10-18-6-4-13(5-7-18)12(2)16/h8-9,12-13H,4-7,10,16H2,1-3H3
InChIKeyBCXSXSJWYJANCA-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.96
Rot. Bonds4

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

1-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidin-4-yl]ethanamine (PubChem CID 82891992) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidin-4-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidin-4-yl]ethanamine
PubChem CID82891992
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name1-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidin-4-yl]ethanamine
SMILESCOc1cc(C)nc(CN2CCC(C(C)N)CC2)c1
InChIInChI=1S/C15H25N3O/c1-11-8-15(19-3)9-14(17-11)10-18-6-4-13(5-7-18)12(2)16/h8-9,12-13H,4-7,10,16H2,1-3H3
InChIKeyBCXSXSJWYJANCA-UHFFFAOYSA-N
XLogP1.96
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidin-4-yl]ethanamine?
The IUPAC name of 1-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidin-4-yl]ethanamine (CID 82891992) is 1-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidin-4-yl]ethanamine.
What is the SMILES notation for 1-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidin-4-yl]ethanamine?
The canonical SMILES for 1-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidin-4-yl]ethanamine is COc1cc(C)nc(CN2CCC(C(C)N)CC2)c1.
What is the InChIKey of 1-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidin-4-yl]ethanamine?
The InChIKey is BCXSXSJWYJANCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-11-8-15(19-3)9-14(17-11)10-18-6-4-13(5-7-18)12(2)16/h8-9,12-13H,4-7,10,16H2,1-3H3.
What are the key properties of 1-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidin-4-yl]ethanamine?
1-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidin-4-yl]ethanamine has a molecular weight of 263.38 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidin-4-yl]ethanamine is sourced from PubChem (CID 82891992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).