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

C24H35FN4O — CID 16673141

IUPACN-[(4-fluorophenyl)methyl]-N-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]-2,2,6,6-tetramethylpiperidin-4-amine
SMILESCOCCc1ncc(CN(Cc2ccc(F)cc2)C2CC(C)(C)NC(C)(C)C2)cn1
InChIInChI=1S/C24H35FN4O/c1-23(2)12-21(13-24(3,4)28-23)29(16-18-6-8-20(25)9-7-18)17-19-14-26-22(27-15-19)10-11-30-5/h6-9,14-15,21,28H,10-13,16-17H2,1-5H3
InChIKeyKIGRCLFDXJMLKI-UHFFFAOYSA-N
MW414.57 g/mol
LogP4.12
Rot. Bonds8

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

N-[(4-fluorophenyl)methyl]-N-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]-2,2,6,6-tetramethylpiperidin-4-amine (PubChem CID 16673141) has the molecular formula C24H35FN4O and a molecular weight of 414.57 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]-2,2,6,6-tetramethylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]-2,2,6,6-tetramethylpiperidin-4-amine
PubChem CID16673141
Molecular FormulaC24H35FN4O
Molecular Weight414.57 g/mol
Exact Mass414.28
IUPAC NameN-[(4-fluorophenyl)methyl]-N-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]-2,2,6,6-tetramethylpiperidin-4-amine
SMILESCOCCc1ncc(CN(Cc2ccc(F)cc2)C2CC(C)(C)NC(C)(C)C2)cn1
InChIInChI=1S/C24H35FN4O/c1-23(2)12-21(13-24(3,4)28-23)29(16-18-6-8-20(25)9-7-18)17-19-14-26-22(27-15-19)10-11-30-5/h6-9,14-15,21,28H,10-13,16-17H2,1-5H3
InChIKeyKIGRCLFDXJMLKI-UHFFFAOYSA-N
XLogP4.12
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.57
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]-2,2,6,6-tetramethylpiperidin-4-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]-2,2,6,6-tetramethylpiperidin-4-amine (CID 16673141) is N-[(4-fluorophenyl)methyl]-N-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]-2,2,6,6-tetramethylpiperidin-4-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]-2,2,6,6-tetramethylpiperidin-4-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]-2,2,6,6-tetramethylpiperidin-4-amine is COCCc1ncc(CN(Cc2ccc(F)cc2)C2CC(C)(C)NC(C)(C)C2)cn1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]-2,2,6,6-tetramethylpiperidin-4-amine?
The InChIKey is KIGRCLFDXJMLKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35FN4O/c1-23(2)12-21(13-24(3,4)28-23)29(16-18-6-8-20(25)9-7-18)17-19-14-26-22(27-15-19)10-11-30-5/h6-9,14-15,21,28H,10-13,16-17H2,1-5H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-N-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]-2,2,6,6-tetramethylpiperidin-4-amine?
N-[(4-fluorophenyl)methyl]-N-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]-2,2,6,6-tetramethylpiperidin-4-amine has a molecular weight of 414.57 g/mol, XLogP of 4.12, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]-2,2,6,6-tetramethylpiperidin-4-amine is sourced from PubChem (CID 16673141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).