1-(2,6-dimethylpyrimidin-4-yl)-N-[1-(4-fluorophenyl)propan-2-yl]piperidin-4-amine

C20H27FN4 — CID 75495478

IUPAC1-(2,6-dimethylpyrimidin-4-yl)-N-[1-(4-fluorophenyl)propan-2-yl]piperidin-4-amine
SMILESCc1cc(N2CCC(NC(C)Cc3ccc(F)cc3)CC2)nc(C)n1
InChIInChI=1S/C20H27FN4/c1-14(12-17-4-6-18(21)7-5-17)23-19-8-10-25(11-9-19)20-13-15(2)22-16(3)24-20/h4-7,13-14,19,23H,8-12H2,1-3H3
InChIKeyZKKRXZGUQPSKMD-UHFFFAOYSA-N
MW342.46 g/mol
LogP3.42
Rot. Bonds5

About 1-(2,6-dimethylpyrimidin-4-yl)-N-[1-(4-fluorophenyl)propan-2-yl]piperidin-4-amine

1-(2,6-dimethylpyrimidin-4-yl)-N-[1-(4-fluorophenyl)propan-2-yl]piperidin-4-amine (PubChem CID 75495478) has the molecular formula C20H27FN4 and a molecular weight of 342.46 g/mol. Its IUPAC name is 1-(2,6-dimethylpyrimidin-4-yl)-N-[1-(4-fluorophenyl)propan-2-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-(2,6-dimethylpyrimidin-4-yl)-N-[1-(4-fluorophenyl)propan-2-yl]piperidin-4-amine
PubChem CID75495478
Molecular FormulaC20H27FN4
Molecular Weight342.46 g/mol
Exact Mass342.22
IUPAC Name1-(2,6-dimethylpyrimidin-4-yl)-N-[1-(4-fluorophenyl)propan-2-yl]piperidin-4-amine
SMILESCc1cc(N2CCC(NC(C)Cc3ccc(F)cc3)CC2)nc(C)n1
InChIInChI=1S/C20H27FN4/c1-14(12-17-4-6-18(21)7-5-17)23-19-8-10-25(11-9-19)20-13-15(2)22-16(3)24-20/h4-7,13-14,19,23H,8-12H2,1-3H3
InChIKeyZKKRXZGUQPSKMD-UHFFFAOYSA-N
XLogP3.42
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-fluorophenyl)propan-2-yl]-1-methylazepan-4-amine
CID 65074925
4-[4-(4-fluorophenoxy)piperidin-1-yl]-2,6-dimethylpyrimidine
CID 133345860
1-(2,6-dimethylpyrimidin-4-yl)-N-(2-fluorophenyl)piperidin-4-amine
CID 133330878
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-4-(propan-2-ylamino)piperidine-1-carboxamide
CID 126778638
2-amino-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-phenylpropanamide;dihydrochloride
CID 119897662
N-[(4-fluorophenyl)methyl]-4-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112910693
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-fluoro-1-benzofuran-2-carboxamide
CID 126783424
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-methyl-3-(methylamino)propanamide
CID 119897687
N-[1-(4-fluorophenyl)propan-2-yl]-4-propan-2-ylcycloheptan-1-amine
CID 65091426
N-[1-(4-fluorophenyl)propan-2-yl]piperidin-3-amine
CID 62997030
N-[1-(4-fluorophenyl)propan-2-yl]-3-methylcyclobutan-1-amine
CID 115892356
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-methylpyrimidin-4-amine
CID 136512883

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylpyrimidin-4-yl)-N-[1-(4-fluorophenyl)propan-2-yl]piperidin-4-amine?
The IUPAC name of 1-(2,6-dimethylpyrimidin-4-yl)-N-[1-(4-fluorophenyl)propan-2-yl]piperidin-4-amine (CID 75495478) is 1-(2,6-dimethylpyrimidin-4-yl)-N-[1-(4-fluorophenyl)propan-2-yl]piperidin-4-amine.
What is the SMILES notation for 1-(2,6-dimethylpyrimidin-4-yl)-N-[1-(4-fluorophenyl)propan-2-yl]piperidin-4-amine?
The canonical SMILES for 1-(2,6-dimethylpyrimidin-4-yl)-N-[1-(4-fluorophenyl)propan-2-yl]piperidin-4-amine is Cc1cc(N2CCC(NC(C)Cc3ccc(F)cc3)CC2)nc(C)n1.
What is the InChIKey of 1-(2,6-dimethylpyrimidin-4-yl)-N-[1-(4-fluorophenyl)propan-2-yl]piperidin-4-amine?
The InChIKey is ZKKRXZGUQPSKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN4/c1-14(12-17-4-6-18(21)7-5-17)23-19-8-10-25(11-9-19)20-13-15(2)22-16(3)24-20/h4-7,13-14,19,23H,8-12H2,1-3H3.
What are the key properties of 1-(2,6-dimethylpyrimidin-4-yl)-N-[1-(4-fluorophenyl)propan-2-yl]piperidin-4-amine?
1-(2,6-dimethylpyrimidin-4-yl)-N-[1-(4-fluorophenyl)propan-2-yl]piperidin-4-amine has a molecular weight of 342.46 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylpyrimidin-4-yl)-N-[1-(4-fluorophenyl)propan-2-yl]piperidin-4-amine is sourced from PubChem (CID 75495478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).