1-(2-methoxypyrimidin-4-yl)-N-methyl-N-(naphthalen-1-ylmethyl)piperidin-4-amine

C22H26N4O — CID 118190332

IUPAC1-(2-methoxypyrimidin-4-yl)-N-methyl-N-(naphthalen-1-ylmethyl)piperidin-4-amine
SMILESCOc1nccc(N2CCC(N(C)Cc3cccc4ccccc34)CC2)n1
InChIInChI=1S/C22H26N4O/c1-25(16-18-8-5-7-17-6-3-4-9-20(17)18)19-11-14-26(15-12-19)21-10-13-23-22(24-21)27-2/h3-10,13,19H,11-12,14-16H2,1-2H3
InChIKeyJFOOFXGIOGDBSU-UHFFFAOYSA-N
MW362.48 g/mol
LogP3.74
Rot. Bonds5

About 1-(2-methoxypyrimidin-4-yl)-N-methyl-N-(naphthalen-1-ylmethyl)piperidin-4-amine

1-(2-methoxypyrimidin-4-yl)-N-methyl-N-(naphthalen-1-ylmethyl)piperidin-4-amine (PubChem CID 118190332) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is 1-(2-methoxypyrimidin-4-yl)-N-methyl-N-(naphthalen-1-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound Name1-(2-methoxypyrimidin-4-yl)-N-methyl-N-(naphthalen-1-ylmethyl)piperidin-4-amine
PubChem CID118190332
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name1-(2-methoxypyrimidin-4-yl)-N-methyl-N-(naphthalen-1-ylmethyl)piperidin-4-amine
SMILESCOc1nccc(N2CCC(N(C)Cc3cccc4ccccc34)CC2)n1
InChIInChI=1S/C22H26N4O/c1-25(16-18-8-5-7-17-6-3-4-9-20(17)18)19-11-14-26(15-12-19)21-10-13-23-22(24-21)27-2/h3-10,13,19H,11-12,14-16H2,1-2H3
InChIKeyJFOOFXGIOGDBSU-UHFFFAOYSA-N
XLogP3.74
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxypyrimidin-4-yl)-N-methyl-N-(naphthalen-1-ylmethyl)piperidin-4-amine?
The IUPAC name of 1-(2-methoxypyrimidin-4-yl)-N-methyl-N-(naphthalen-1-ylmethyl)piperidin-4-amine (CID 118190332) is 1-(2-methoxypyrimidin-4-yl)-N-methyl-N-(naphthalen-1-ylmethyl)piperidin-4-amine.
What is the SMILES notation for 1-(2-methoxypyrimidin-4-yl)-N-methyl-N-(naphthalen-1-ylmethyl)piperidin-4-amine?
The canonical SMILES for 1-(2-methoxypyrimidin-4-yl)-N-methyl-N-(naphthalen-1-ylmethyl)piperidin-4-amine is COc1nccc(N2CCC(N(C)Cc3cccc4ccccc34)CC2)n1.
What is the InChIKey of 1-(2-methoxypyrimidin-4-yl)-N-methyl-N-(naphthalen-1-ylmethyl)piperidin-4-amine?
The InChIKey is JFOOFXGIOGDBSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-25(16-18-8-5-7-17-6-3-4-9-20(17)18)19-11-14-26(15-12-19)21-10-13-23-22(24-21)27-2/h3-10,13,19H,11-12,14-16H2,1-2H3.
What are the key properties of 1-(2-methoxypyrimidin-4-yl)-N-methyl-N-(naphthalen-1-ylmethyl)piperidin-4-amine?
1-(2-methoxypyrimidin-4-yl)-N-methyl-N-(naphthalen-1-ylmethyl)piperidin-4-amine has a molecular weight of 362.48 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxypyrimidin-4-yl)-N-methyl-N-(naphthalen-1-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 118190332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).