N-[(4-fluorophenyl)methyl]-N-methyl-1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-amine

C18H23FN4S — CID 118190221

IUPACN-[(4-fluorophenyl)methyl]-N-methyl-1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-amine
SMILESCSc1nccc(N2CCC(N(C)Cc3ccc(F)cc3)CC2)n1
InChIInChI=1S/C18H23FN4S/c1-22(13-14-3-5-15(19)6-4-14)16-8-11-23(12-9-16)17-7-10-20-18(21-17)24-2/h3-7,10,16H,8-9,11-13H2,1-2H3
InChIKeyMYMAFAMKSQCMAU-UHFFFAOYSA-N
MW346.48 g/mol
LogP3.44
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-N-methyl-1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-amine

N-[(4-fluorophenyl)methyl]-N-methyl-1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-amine (PubChem CID 118190221) has the molecular formula C18H23FN4S and a molecular weight of 346.48 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N-methyl-1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N-methyl-1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-amine
PubChem CID118190221
Molecular FormulaC18H23FN4S
Molecular Weight346.48 g/mol
Exact Mass346.16
IUPAC NameN-[(4-fluorophenyl)methyl]-N-methyl-1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-amine
SMILESCSc1nccc(N2CCC(N(C)Cc3ccc(F)cc3)CC2)n1
InChIInChI=1S/C18H23FN4S/c1-22(13-14-3-5-15(19)6-4-14)16-8-11-23(12-9-16)17-7-10-20-18(21-17)24-2/h3-7,10,16H,8-9,11-13H2,1-2H3
InChIKeyMYMAFAMKSQCMAU-UHFFFAOYSA-N
XLogP3.44
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N-methyl-1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N-methyl-1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-amine (CID 118190221) is N-[(4-fluorophenyl)methyl]-N-methyl-1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N-methyl-1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N-methyl-1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-amine is CSc1nccc(N2CCC(N(C)Cc3ccc(F)cc3)CC2)n1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N-methyl-1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-amine?
The InChIKey is MYMAFAMKSQCMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4S/c1-22(13-14-3-5-15(19)6-4-14)16-8-11-23(12-9-16)17-7-10-20-18(21-17)24-2/h3-7,10,16H,8-9,11-13H2,1-2H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-N-methyl-1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-amine?
N-[(4-fluorophenyl)methyl]-N-methyl-1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-amine has a molecular weight of 346.48 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N-methyl-1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-amine is sourced from PubChem (CID 118190221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).