1-[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]-1-(4,6-dimethylpyrimidin-2-yl)-2-[1-[[3,5-di(propan-2-yloxy)phenyl]methyl]piperidin-4-yl]-2-pyrimidin-2-ylhydrazine

C44H61ClN8O4 — CID 69151641

About 1-[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]-1-(4,6-dimethylpyrimidin-2-yl)-2-[1-[[3,5-di(propan-2-yloxy)phenyl]methyl]piperidin-4-yl]-2-pyrimidin-2-ylhydrazine

1-[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]-1-(4,6-dimethylpyrimidin-2-yl)-2-[1-[[3,5-di(propan-2-yloxy)phenyl]methyl]piperidin-4-yl]-2-pyrimidin-2-ylhydrazine (PubChem CID 69151641) has the molecular formula C44H61ClN8O4 and a molecular weight of 801.48 g/mol. Its IUPAC name is 1-[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]-1-(4,6-dimethylpyrimidin-2-yl)-2-[1-[[3,5-di(propan-2-yloxy)phenyl]methyl]piperidin-4-yl]-2-pyrimidin-2-ylhydrazine.

Molecular Properties

• Compound Name: 1-[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]-1-(4,6-dimethylpyrimidin-2-yl)-2-[1-[[3,5-di(propan-2-yloxy)phenyl]methyl]piperidin-4-yl]-2-pyrimidin-2-ylhydrazine
• PubChem CID: 69151641
• Molecular Formula: C44H61ClN8O4
• Molecular Weight: 801.48 g/mol
• Exact Mass: 800.45
• IUPAC Name: 1-[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]-1-(4,6-dimethylpyrimidin-2-yl)-2-[1-[[3,5-di(propan-2-yloxy)phenyl]methyl]piperidin-4-yl]-2-pyrimidin-2-ylhydrazine
• SMILES: CCOc1cc(CN2CCC(N(c3nc(C)cc(C)n3)N(c3ncccn3)C3CCN(Cc4cc(OC(C)C)cc(OC(C)C)c4)CC3)CC2)cc(OCC)c1Cl
• InChI: InChI=1S/C44H61ClN8O4/c1-9-54-40-25-35(26-41(42(40)45)55-10-2)29-51-20-14-37(15-21-51)53(44-48-32(7)22-33(8)49-44)52(43-46-16-11-17-47-43)36-12-18-50(19-13-36)28-34-23-38(56-30(3)4)27-39(24-34)57-31(5)6/h11,16-17,22-27,30-31,36-37H,9-10,12-15,18-21,28-29H2,1-8H3
• InChIKey: OGODTXWGYZSOAS-UHFFFAOYSA-N
• XLogP: 8.47
• TPSA: 101.44 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 17
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	801.48
LogP ≤ 5	8.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]-1-(4,6-dimethylpyrimidin-2-yl)-2-[1-[[3,5-di(propan-2-yloxy)phenyl]methyl]piperidin-4-yl]-2-pyrimidin-2-ylhydrazine?

The IUPAC name of 1-[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]-1-(4,6-dimethylpyrimidin-2-yl)-2-[1-[[3,5-di(propan-2-yloxy)phenyl]methyl]piperidin-4-yl]-2-pyrimidin-2-ylhydrazine (CID 69151641) is 1-[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]-1-(4,6-dimethylpyrimidin-2-yl)-2-[1-[[3,5-di(propan-2-yloxy)phenyl]methyl]piperidin-4-yl]-2-pyrimidin-2-ylhydrazine.

What is the SMILES notation for 1-[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]-1-(4,6-dimethylpyrimidin-2-yl)-2-[1-[[3,5-di(propan-2-yloxy)phenyl]methyl]piperidin-4-yl]-2-pyrimidin-2-ylhydrazine?

The canonical SMILES for 1-[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]-1-(4,6-dimethylpyrimidin-2-yl)-2-[1-[[3,5-di(propan-2-yloxy)phenyl]methyl]piperidin-4-yl]-2-pyrimidin-2-ylhydrazine is CCOc1cc(CN2CCC(N(c3nc(C)cc(C)n3)N(c3ncccn3)C3CCN(Cc4cc(OC(C)C)cc(OC(C)C)c4)CC3)CC2)cc(OCC)c1Cl.

What is the InChIKey of 1-[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]-1-(4,6-dimethylpyrimidin-2-yl)-2-[1-[[3,5-di(propan-2-yloxy)phenyl]methyl]piperidin-4-yl]-2-pyrimidin-2-ylhydrazine?

The InChIKey is OGODTXWGYZSOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H61ClN8O4/c1-9-54-40-25-35(26-41(42(40)45)55-10-2)29-51-20-14-37(15-21-51)53(44-48-32(7)22-33(8)49-44)52(43-46-16-11-17-47-43)36-12-18-50(19-13-36)28-34-23-38(56-30(3)4)27-39(24-34)57-31(5)6/h11,16-17,22-27,30-31,36-37H,9-10,12-15,18-21,28-29H2,1-8H3.

What are the key properties of 1-[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]-1-(4,6-dimethylpyrimidin-2-yl)-2-[1-[[3,5-di(propan-2-yloxy)phenyl]methyl]piperidin-4-yl]-2-pyrimidin-2-ylhydrazine?

1-[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]-1-(4,6-dimethylpyrimidin-2-yl)-2-[1-[[3,5-di(propan-2-yloxy)phenyl]methyl]piperidin-4-yl]-2-pyrimidin-2-ylhydrazine has a molecular weight of 801.48 g/mol, XLogP of 8.47, 17 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]-1-(4,6-dimethylpyrimidin-2-yl)-2-[1-[[3,5-di(propan-2-yloxy)phenyl]methyl]piperidin-4-yl]-2-pyrimidin-2-ylhydrazine is sourced from PubChem (CID 69151641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).