2-benzyl-N-[1-(4-methoxyphenyl)piperidin-4-yl]pyrimidin-4-amine

C23H26N4O — CID 133443170

IUPAC2-benzyl-N-[1-(4-methoxyphenyl)piperidin-4-yl]pyrimidin-4-amine
SMILESCOc1ccc(N2CCC(Nc3ccnc(Cc4ccccc4)n3)CC2)cc1
InChIInChI=1S/C23H26N4O/c1-28-21-9-7-20(8-10-21)27-15-12-19(13-16-27)25-22-11-14-24-23(26-22)17-18-5-3-2-4-6-18/h2-11,14,19H,12-13,15-17H2,1H3,(H,24,25,26)
InChIKeyFKRSRHLEARLNPZ-UHFFFAOYSA-N
MW374.49 g/mol
LogP4.16
Rot. Bonds6

About 2-benzyl-N-[1-(4-methoxyphenyl)piperidin-4-yl]pyrimidin-4-amine

2-benzyl-N-[1-(4-methoxyphenyl)piperidin-4-yl]pyrimidin-4-amine (PubChem CID 133443170) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is 2-benzyl-N-[1-(4-methoxyphenyl)piperidin-4-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-benzyl-N-[1-(4-methoxyphenyl)piperidin-4-yl]pyrimidin-4-amine
PubChem CID133443170
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name2-benzyl-N-[1-(4-methoxyphenyl)piperidin-4-yl]pyrimidin-4-amine
SMILESCOc1ccc(N2CCC(Nc3ccnc(Cc4ccccc4)n3)CC2)cc1
InChIInChI=1S/C23H26N4O/c1-28-21-9-7-20(8-10-21)27-15-12-19(13-16-27)25-22-11-14-24-23(26-22)17-18-5-3-2-4-6-18/h2-11,14,19H,12-13,15-17H2,1H3,(H,24,25,26)
InChIKeyFKRSRHLEARLNPZ-UHFFFAOYSA-N
XLogP4.16
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-[1-(4-methoxyphenyl)piperidin-4-yl]pyrimidin-4-amine?
The IUPAC name of 2-benzyl-N-[1-(4-methoxyphenyl)piperidin-4-yl]pyrimidin-4-amine (CID 133443170) is 2-benzyl-N-[1-(4-methoxyphenyl)piperidin-4-yl]pyrimidin-4-amine.
What is the SMILES notation for 2-benzyl-N-[1-(4-methoxyphenyl)piperidin-4-yl]pyrimidin-4-amine?
The canonical SMILES for 2-benzyl-N-[1-(4-methoxyphenyl)piperidin-4-yl]pyrimidin-4-amine is COc1ccc(N2CCC(Nc3ccnc(Cc4ccccc4)n3)CC2)cc1.
What is the InChIKey of 2-benzyl-N-[1-(4-methoxyphenyl)piperidin-4-yl]pyrimidin-4-amine?
The InChIKey is FKRSRHLEARLNPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-28-21-9-7-20(8-10-21)27-15-12-19(13-16-27)25-22-11-14-24-23(26-22)17-18-5-3-2-4-6-18/h2-11,14,19H,12-13,15-17H2,1H3,(H,24,25,26).
What are the key properties of 2-benzyl-N-[1-(4-methoxyphenyl)piperidin-4-yl]pyrimidin-4-amine?
2-benzyl-N-[1-(4-methoxyphenyl)piperidin-4-yl]pyrimidin-4-amine has a molecular weight of 374.49 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-[1-(4-methoxyphenyl)piperidin-4-yl]pyrimidin-4-amine is sourced from PubChem (CID 133443170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).