N-[(2-methoxyphenyl)methyl]-1-methyl-N-[[2-(4-methylphenyl)pyrimidin-5-yl]methyl]piperidin-4-amine

C26H32N4O — CID 46979352

IUPACN-[(2-methoxyphenyl)methyl]-1-methyl-N-[[2-(4-methylphenyl)pyrimidin-5-yl]methyl]piperidin-4-amine
SMILESCOc1ccccc1CN(Cc1cnc(-c2ccc(C)cc2)nc1)C1CCN(C)CC1
InChIInChI=1S/C26H32N4O/c1-20-8-10-22(11-9-20)26-27-16-21(17-28-26)18-30(24-12-14-29(2)15-13-24)19-23-6-4-5-7-25(23)31-3/h4-11,16-17,24H,12-15,18-19H2,1-3H3
InChIKeyPHGNRHXTYADBNS-UHFFFAOYSA-N
MW416.57 g/mol
LogP4.56
Rot. Bonds7

About N-[(2-methoxyphenyl)methyl]-1-methyl-N-[[2-(4-methylphenyl)pyrimidin-5-yl]methyl]piperidin-4-amine

N-[(2-methoxyphenyl)methyl]-1-methyl-N-[[2-(4-methylphenyl)pyrimidin-5-yl]methyl]piperidin-4-amine (PubChem CID 46979352) has the molecular formula C26H32N4O and a molecular weight of 416.57 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-1-methyl-N-[[2-(4-methylphenyl)pyrimidin-5-yl]methyl]piperidin-4-amine.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-1-methyl-N-[[2-(4-methylphenyl)pyrimidin-5-yl]methyl]piperidin-4-amine
PubChem CID46979352
Molecular FormulaC26H32N4O
Molecular Weight416.57 g/mol
Exact Mass416.26
IUPAC NameN-[(2-methoxyphenyl)methyl]-1-methyl-N-[[2-(4-methylphenyl)pyrimidin-5-yl]methyl]piperidin-4-amine
SMILESCOc1ccccc1CN(Cc1cnc(-c2ccc(C)cc2)nc1)C1CCN(C)CC1
InChIInChI=1S/C26H32N4O/c1-20-8-10-22(11-9-20)26-27-16-21(17-28-26)18-30(24-12-14-29(2)15-13-24)19-23-6-4-5-7-25(23)31-3/h4-11,16-17,24H,12-15,18-19H2,1-3H3
InChIKeyPHGNRHXTYADBNS-UHFFFAOYSA-N
XLogP4.56
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.57
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-1-methyl-N-[[2-(4-methylphenyl)pyrimidin-5-yl]methyl]piperidin-4-amine?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-1-methyl-N-[[2-(4-methylphenyl)pyrimidin-5-yl]methyl]piperidin-4-amine (CID 46979352) is N-[(2-methoxyphenyl)methyl]-1-methyl-N-[[2-(4-methylphenyl)pyrimidin-5-yl]methyl]piperidin-4-amine.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-1-methyl-N-[[2-(4-methylphenyl)pyrimidin-5-yl]methyl]piperidin-4-amine?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-1-methyl-N-[[2-(4-methylphenyl)pyrimidin-5-yl]methyl]piperidin-4-amine is COc1ccccc1CN(Cc1cnc(-c2ccc(C)cc2)nc1)C1CCN(C)CC1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-1-methyl-N-[[2-(4-methylphenyl)pyrimidin-5-yl]methyl]piperidin-4-amine?
The InChIKey is PHGNRHXTYADBNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O/c1-20-8-10-22(11-9-20)26-27-16-21(17-28-26)18-30(24-12-14-29(2)15-13-24)19-23-6-4-5-7-25(23)31-3/h4-11,16-17,24H,12-15,18-19H2,1-3H3.
What are the key properties of N-[(2-methoxyphenyl)methyl]-1-methyl-N-[[2-(4-methylphenyl)pyrimidin-5-yl]methyl]piperidin-4-amine?
N-[(2-methoxyphenyl)methyl]-1-methyl-N-[[2-(4-methylphenyl)pyrimidin-5-yl]methyl]piperidin-4-amine has a molecular weight of 416.57 g/mol, XLogP of 4.56, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-1-methyl-N-[[2-(4-methylphenyl)pyrimidin-5-yl]methyl]piperidin-4-amine is sourced from PubChem (CID 46979352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).