N-[(2-fluorophenyl)methyl]-N-[(2-methoxypyrimidin-5-yl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine

C22H31FN4O — CID 16673148

IUPACN-[(2-fluorophenyl)methyl]-N-[(2-methoxypyrimidin-5-yl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine
SMILESCOc1ncc(CN(Cc2ccccc2F)C2CC(C)(C)NC(C)(C)C2)cn1
InChIInChI=1S/C22H31FN4O/c1-21(2)10-18(11-22(3,4)26-21)27(15-17-8-6-7-9-19(17)23)14-16-12-24-20(28-5)25-13-16/h6-9,12-13,18,26H,10-11,14-15H2,1-5H3
InChIKeyMSTYONDVDKHLAE-UHFFFAOYSA-N
MW386.52 g/mol
LogP3.94
Rot. Bonds6

About N-[(2-fluorophenyl)methyl]-N-[(2-methoxypyrimidin-5-yl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine

N-[(2-fluorophenyl)methyl]-N-[(2-methoxypyrimidin-5-yl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine (PubChem CID 16673148) has the molecular formula C22H31FN4O and a molecular weight of 386.52 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-N-[(2-methoxypyrimidin-5-yl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-N-[(2-methoxypyrimidin-5-yl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine
PubChem CID16673148
Molecular FormulaC22H31FN4O
Molecular Weight386.52 g/mol
Exact Mass386.25
IUPAC NameN-[(2-fluorophenyl)methyl]-N-[(2-methoxypyrimidin-5-yl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine
SMILESCOc1ncc(CN(Cc2ccccc2F)C2CC(C)(C)NC(C)(C)C2)cn1
InChIInChI=1S/C22H31FN4O/c1-21(2)10-18(11-22(3,4)26-21)27(15-17-8-6-7-9-19(17)23)14-16-12-24-20(28-5)25-13-16/h6-9,12-13,18,26H,10-11,14-15H2,1-5H3
InChIKeyMSTYONDVDKHLAE-UHFFFAOYSA-N
XLogP3.94
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-N-[(2-methoxypyrimidin-5-yl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine?
The IUPAC name of N-[(2-fluorophenyl)methyl]-N-[(2-methoxypyrimidin-5-yl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine (CID 16673148) is N-[(2-fluorophenyl)methyl]-N-[(2-methoxypyrimidin-5-yl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-N-[(2-methoxypyrimidin-5-yl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-N-[(2-methoxypyrimidin-5-yl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine is COc1ncc(CN(Cc2ccccc2F)C2CC(C)(C)NC(C)(C)C2)cn1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-N-[(2-methoxypyrimidin-5-yl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine?
The InChIKey is MSTYONDVDKHLAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31FN4O/c1-21(2)10-18(11-22(3,4)26-21)27(15-17-8-6-7-9-19(17)23)14-16-12-24-20(28-5)25-13-16/h6-9,12-13,18,26H,10-11,14-15H2,1-5H3.
What are the key properties of N-[(2-fluorophenyl)methyl]-N-[(2-methoxypyrimidin-5-yl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine?
N-[(2-fluorophenyl)methyl]-N-[(2-methoxypyrimidin-5-yl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine has a molecular weight of 386.52 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-N-[(2-methoxypyrimidin-5-yl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine is sourced from PubChem (CID 16673148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).