N-[(4-fluorophenyl)methyl]-1-(6-methoxypyrimidin-4-yl)-N-methylpiperidin-4-amine

C18H23FN4O — CID 118190339

IUPACN-[(4-fluorophenyl)methyl]-1-(6-methoxypyrimidin-4-yl)-N-methylpiperidin-4-amine
SMILESCOc1cc(N2CCC(N(C)Cc3ccc(F)cc3)CC2)ncn1
InChIInChI=1S/C18H23FN4O/c1-22(12-14-3-5-15(19)6-4-14)16-7-9-23(10-8-16)17-11-18(24-2)21-13-20-17/h3-6,11,13,16H,7-10,12H2,1-2H3
InChIKeyQKIHXXNMFGPMOR-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.73
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-1-(6-methoxypyrimidin-4-yl)-N-methylpiperidin-4-amine

N-[(4-fluorophenyl)methyl]-1-(6-methoxypyrimidin-4-yl)-N-methylpiperidin-4-amine (PubChem CID 118190339) has the molecular formula C18H23FN4O and a molecular weight of 330.41 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-1-(6-methoxypyrimidin-4-yl)-N-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-1-(6-methoxypyrimidin-4-yl)-N-methylpiperidin-4-amine
PubChem CID118190339
Molecular FormulaC18H23FN4O
Molecular Weight330.41 g/mol
Exact Mass330.19
IUPAC NameN-[(4-fluorophenyl)methyl]-1-(6-methoxypyrimidin-4-yl)-N-methylpiperidin-4-amine
SMILESCOc1cc(N2CCC(N(C)Cc3ccc(F)cc3)CC2)ncn1
InChIInChI=1S/C18H23FN4O/c1-22(12-14-3-5-15(19)6-4-14)16-7-9-23(10-8-16)17-11-18(24-2)21-13-20-17/h3-6,11,13,16H,7-10,12H2,1-2H3
InChIKeyQKIHXXNMFGPMOR-UHFFFAOYSA-N
XLogP2.73
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.73
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]-1-(6-methoxypyrimidin-4-yl)-N-methylpiperidin-4-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-1-(6-methoxypyrimidin-4-yl)-N-methylpiperidin-4-amine (CID 118190339) is N-[(4-fluorophenyl)methyl]-1-(6-methoxypyrimidin-4-yl)-N-methylpiperidin-4-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-1-(6-methoxypyrimidin-4-yl)-N-methylpiperidin-4-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-1-(6-methoxypyrimidin-4-yl)-N-methylpiperidin-4-amine is COc1cc(N2CCC(N(C)Cc3ccc(F)cc3)CC2)ncn1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-1-(6-methoxypyrimidin-4-yl)-N-methylpiperidin-4-amine?
The InChIKey is QKIHXXNMFGPMOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O/c1-22(12-14-3-5-15(19)6-4-14)16-7-9-23(10-8-16)17-11-18(24-2)21-13-20-17/h3-6,11,13,16H,7-10,12H2,1-2H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-1-(6-methoxypyrimidin-4-yl)-N-methylpiperidin-4-amine?
N-[(4-fluorophenyl)methyl]-1-(6-methoxypyrimidin-4-yl)-N-methylpiperidin-4-amine has a molecular weight of 330.41 g/mol, XLogP of 2.73, 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]-1-(6-methoxypyrimidin-4-yl)-N-methylpiperidin-4-amine is sourced from PubChem (CID 118190339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).