1-(6-methoxypyrimidin-4-yl)-N-methyl-N-[(4-methylphenyl)methyl]piperidin-4-amine

C19H26N4O — CID 118190509

IUPAC1-(6-methoxypyrimidin-4-yl)-N-methyl-N-[(4-methylphenyl)methyl]piperidin-4-amine
SMILESCOc1cc(N2CCC(N(C)Cc3ccc(C)cc3)CC2)ncn1
InChIInChI=1S/C19H26N4O/c1-15-4-6-16(7-5-15)13-22(2)17-8-10-23(11-9-17)18-12-19(24-3)21-14-20-18/h4-7,12,14,17H,8-11,13H2,1-3H3
InChIKeySWIFOIPXGKVQTO-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.89
Rot. Bonds5

About 1-(6-methoxypyrimidin-4-yl)-N-methyl-N-[(4-methylphenyl)methyl]piperidin-4-amine

1-(6-methoxypyrimidin-4-yl)-N-methyl-N-[(4-methylphenyl)methyl]piperidin-4-amine (PubChem CID 118190509) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 1-(6-methoxypyrimidin-4-yl)-N-methyl-N-[(4-methylphenyl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-(6-methoxypyrimidin-4-yl)-N-methyl-N-[(4-methylphenyl)methyl]piperidin-4-amine
PubChem CID118190509
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name1-(6-methoxypyrimidin-4-yl)-N-methyl-N-[(4-methylphenyl)methyl]piperidin-4-amine
SMILESCOc1cc(N2CCC(N(C)Cc3ccc(C)cc3)CC2)ncn1
InChIInChI=1S/C19H26N4O/c1-15-4-6-16(7-5-15)13-22(2)17-8-10-23(11-9-17)18-12-19(24-3)21-14-20-18/h4-7,12,14,17H,8-11,13H2,1-3H3
InChIKeySWIFOIPXGKVQTO-UHFFFAOYSA-N
XLogP2.89
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxypyrimidin-4-yl)-N-methyl-N-[(4-methylphenyl)methyl]piperidin-4-amine?
The IUPAC name of 1-(6-methoxypyrimidin-4-yl)-N-methyl-N-[(4-methylphenyl)methyl]piperidin-4-amine (CID 118190509) is 1-(6-methoxypyrimidin-4-yl)-N-methyl-N-[(4-methylphenyl)methyl]piperidin-4-amine.
What is the SMILES notation for 1-(6-methoxypyrimidin-4-yl)-N-methyl-N-[(4-methylphenyl)methyl]piperidin-4-amine?
The canonical SMILES for 1-(6-methoxypyrimidin-4-yl)-N-methyl-N-[(4-methylphenyl)methyl]piperidin-4-amine is COc1cc(N2CCC(N(C)Cc3ccc(C)cc3)CC2)ncn1.
What is the InChIKey of 1-(6-methoxypyrimidin-4-yl)-N-methyl-N-[(4-methylphenyl)methyl]piperidin-4-amine?
The InChIKey is SWIFOIPXGKVQTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-15-4-6-16(7-5-15)13-22(2)17-8-10-23(11-9-17)18-12-19(24-3)21-14-20-18/h4-7,12,14,17H,8-11,13H2,1-3H3.
What are the key properties of 1-(6-methoxypyrimidin-4-yl)-N-methyl-N-[(4-methylphenyl)methyl]piperidin-4-amine?
1-(6-methoxypyrimidin-4-yl)-N-methyl-N-[(4-methylphenyl)methyl]piperidin-4-amine has a molecular weight of 326.44 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxypyrimidin-4-yl)-N-methyl-N-[(4-methylphenyl)methyl]piperidin-4-amine is sourced from PubChem (CID 118190509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).