4-(6-methoxy-4-piperidin-1-ylnaphthalen-2-yl)-2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]pyrimidine

C31H42N4O — CID 58336380

IUPAC4-(6-methoxy-4-piperidin-1-ylnaphthalen-2-yl)-2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]pyrimidine
SMILESCOc1ccc2cc(-c3ccnc(CC4CC(C)(C)N(C)C(C)(C)C4)n3)cc(N3CCCCC3)c2c1
InChIInChI=1S/C31H42N4O/c1-30(2)20-22(21-31(3,4)34(30)5)16-29-32-13-12-27(33-29)24-17-23-10-11-25(36-6)19-26(23)28(18-24)35-14-8-7-9-15-35/h10-13,17-19,22H,7-9,14-16,20-21H2,1-6H3
InChIKeyDJFXTOGYKKBONZ-UHFFFAOYSA-N
MW486.70 g/mol
LogP6.74
Rot. Bonds5

About 4-(6-methoxy-4-piperidin-1-ylnaphthalen-2-yl)-2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]pyrimidine

4-(6-methoxy-4-piperidin-1-ylnaphthalen-2-yl)-2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]pyrimidine (PubChem CID 58336380) has the molecular formula C31H42N4O and a molecular weight of 486.70 g/mol. Its IUPAC name is 4-(6-methoxy-4-piperidin-1-ylnaphthalen-2-yl)-2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]pyrimidine.

Molecular Properties

Compound Name4-(6-methoxy-4-piperidin-1-ylnaphthalen-2-yl)-2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]pyrimidine
PubChem CID58336380
Molecular FormulaC31H42N4O
Molecular Weight486.70 g/mol
Exact Mass486.34
IUPAC Name4-(6-methoxy-4-piperidin-1-ylnaphthalen-2-yl)-2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]pyrimidine
SMILESCOc1ccc2cc(-c3ccnc(CC4CC(C)(C)N(C)C(C)(C)C4)n3)cc(N3CCCCC3)c2c1
InChIInChI=1S/C31H42N4O/c1-30(2)20-22(21-31(3,4)34(30)5)16-29-32-13-12-27(33-29)24-17-23-10-11-25(36-6)19-26(23)28(18-24)35-14-8-7-9-15-35/h10-13,17-19,22H,7-9,14-16,20-21H2,1-6H3
InChIKeyDJFXTOGYKKBONZ-UHFFFAOYSA-N
XLogP6.74
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.70
LogP ≤ 56.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(6-methoxy-4-piperidin-1-ylnaphthalen-2-yl)-2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]pyrimidine?
The IUPAC name of 4-(6-methoxy-4-piperidin-1-ylnaphthalen-2-yl)-2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]pyrimidine (CID 58336380) is 4-(6-methoxy-4-piperidin-1-ylnaphthalen-2-yl)-2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]pyrimidine.
What is the SMILES notation for 4-(6-methoxy-4-piperidin-1-ylnaphthalen-2-yl)-2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]pyrimidine?
The canonical SMILES for 4-(6-methoxy-4-piperidin-1-ylnaphthalen-2-yl)-2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]pyrimidine is COc1ccc2cc(-c3ccnc(CC4CC(C)(C)N(C)C(C)(C)C4)n3)cc(N3CCCCC3)c2c1.
What is the InChIKey of 4-(6-methoxy-4-piperidin-1-ylnaphthalen-2-yl)-2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]pyrimidine?
The InChIKey is DJFXTOGYKKBONZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H42N4O/c1-30(2)20-22(21-31(3,4)34(30)5)16-29-32-13-12-27(33-29)24-17-23-10-11-25(36-6)19-26(23)28(18-24)35-14-8-7-9-15-35/h10-13,17-19,22H,7-9,14-16,20-21H2,1-6H3.
What are the key properties of 4-(6-methoxy-4-piperidin-1-ylnaphthalen-2-yl)-2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]pyrimidine?
4-(6-methoxy-4-piperidin-1-ylnaphthalen-2-yl)-2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]pyrimidine has a molecular weight of 486.70 g/mol, XLogP of 6.74, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methoxy-4-piperidin-1-ylnaphthalen-2-yl)-2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]pyrimidine is sourced from PubChem (CID 58336380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).