1-[1-[(3,5-diethoxyphenyl)methyl]piperidin-4-yl]-2-[5-(4-methoxyphenyl)pyrimidin-2-yl]-1-[1-[5-(4-methoxyphenyl)pyrimidin-2-yl]piperidin-4-yl]hydrazine;dihydrochloride

C43H54Cl2N8O4 — CID 68967196

IUPAC1-[1-[(3,5-diethoxyphenyl)methyl]piperidin-4-yl]-2-[5-(4-methoxyphenyl)pyrimidin-2-yl]-1-[1-[5-(4-methoxyphenyl)pyrimidin-2-yl]piperidin-4-yl]hydrazine;dihydrochloride
SMILESCCOc1cc(CN2CCC(N(Nc3ncc(-c4ccc(OC)cc4)cn3)C3CCN(c4ncc(-c5ccc(OC)cc5)cn4)CC3)CC2)cc(OCC)c1.Cl.Cl
InChIInChI=1S/C43H52N8O4.2ClH/c1-5-54-40-23-31(24-41(25-40)55-6-2)30-49-19-15-36(16-20-49)51(48-42-44-26-34(27-45-42)32-7-11-38(52-3)12-8-32)37-17-21-50(22-18-37)43-46-28-35(29-47-43)33-9-13-39(53-4)14-10-33;;/h7-14,23-29,36-37H,5-6,15-22,30H2,1-4H3,(H,44,45,48);2*1H
InChIKeyMBMNHIUCMYHUEM-UHFFFAOYSA-N
MW817.86 g/mol
LogP8.22
Rot. Bonds15

About 1-[1-[(3,5-diethoxyphenyl)methyl]piperidin-4-yl]-2-[5-(4-methoxyphenyl)pyrimidin-2-yl]-1-[1-[5-(4-methoxyphenyl)pyrimidin-2-yl]piperidin-4-yl]hydrazine;dihydrochloride

1-[1-[(3,5-diethoxyphenyl)methyl]piperidin-4-yl]-2-[5-(4-methoxyphenyl)pyrimidin-2-yl]-1-[1-[5-(4-methoxyphenyl)pyrimidin-2-yl]piperidin-4-yl]hydrazine;dihydrochloride (PubChem CID 68967196) has the molecular formula C43H54Cl2N8O4 and a molecular weight of 817.86 g/mol. Its IUPAC name is 1-[1-[(3,5-diethoxyphenyl)methyl]piperidin-4-yl]-2-[5-(4-methoxyphenyl)pyrimidin-2-yl]-1-[1-[5-(4-methoxyphenyl)pyrimidin-2-yl]piperidin-4-yl]hydrazine;dihydrochloride.

Molecular Properties

Compound Name1-[1-[(3,5-diethoxyphenyl)methyl]piperidin-4-yl]-2-[5-(4-methoxyphenyl)pyrimidin-2-yl]-1-[1-[5-(4-methoxyphenyl)pyrimidin-2-yl]piperidin-4-yl]hydrazine;dihydrochloride
PubChem CID68967196
Molecular FormulaC43H54Cl2N8O4
Molecular Weight817.86 g/mol
Exact Mass816.36
IUPAC Name1-[1-[(3,5-diethoxyphenyl)methyl]piperidin-4-yl]-2-[5-(4-methoxyphenyl)pyrimidin-2-yl]-1-[1-[5-(4-methoxyphenyl)pyrimidin-2-yl]piperidin-4-yl]hydrazine;dihydrochloride
SMILESCCOc1cc(CN2CCC(N(Nc3ncc(-c4ccc(OC)cc4)cn3)C3CCN(c4ncc(-c5ccc(OC)cc5)cn4)CC3)CC2)cc(OCC)c1.Cl.Cl
InChIInChI=1S/C43H52N8O4.2ClH/c1-5-54-40-23-31(24-41(25-40)55-6-2)30-49-19-15-36(16-20-49)51(48-42-44-26-34(27-45-42)32-7-11-38(52-3)12-8-32)37-17-21-50(22-18-37)43-46-28-35(29-47-43)33-9-13-39(53-4)14-10-33;;/h7-14,23-29,36-37H,5-6,15-22,30H2,1-4H3,(H,44,45,48);2*1H
InChIKeyMBMNHIUCMYHUEM-UHFFFAOYSA-N
XLogP8.22
TPSA110.23 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds15
Heavy Atoms57
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500817.86
LogP ≤ 58.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 1-[1-[(3,5-diethoxyphenyl)methyl]piperidin-4-yl]-2-[5-(4-methoxyphenyl)pyrimidin-2-yl]-1-[1-[5-(4-methoxyphenyl)pyrimidin-2-yl]piperidin-4-yl]hydrazine;dihydrochloride with MolForge

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Related Compounds

1-[1-[[3,5-di(propan-2-yloxy)phenyl]methyl]piperidin-4-yl]-1,2-bis[5-(4-methoxyphenyl)pyrimidin-2-yl]-2-piperidin-4-ylhydrazine
CID 68963001
N-[1-[(3-ethoxy-4-fluorophenyl)methyl]piperidin-4-yl]-5-(4-methoxyphenyl)pyrimidin-2-amine
CID 68781594
1-[2-[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]-1-[5-(4-methoxyphenyl)pyrimidin-2-yl]piperidin-4-yl]-1-[5-(4-methoxyphenyl)pyrimidin-2-yl]hydrazine
CID 68969744
2-[4-[(3,5-dimethoxyphenyl)methyl]piperazin-1-yl]-5-methylpyrimidine
CID 133403794
5-(3,4-dimethoxyphenyl)-N-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]pyrimidin-2-amine
CID 68787116
4-amino-2-[[1-[(3,5-diethoxyphenyl)methyl]piperidin-4-yl]amino]pyrimidine-5-carbonitrile
CID 68779068
5-chloro-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]pyrimidine
CID 75424158
5-(4-methoxyphenyl)-2-(4-propan-2-ylpiperazin-1-yl)pyrimidine
CID 58006557
1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-amine;hydrochloride
CID 119041063
N-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-5-ethylpyrimidin-2-amine
CID 68781049
N-(4-methoxyphenyl)-1-(5-phenylpyrimidin-2-yl)piperidine-4-carboxamide
CID 53107326
(S)-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
CID 97159643

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3,5-diethoxyphenyl)methyl]piperidin-4-yl]-2-[5-(4-methoxyphenyl)pyrimidin-2-yl]-1-[1-[5-(4-methoxyphenyl)pyrimidin-2-yl]piperidin-4-yl]hydrazine;dihydrochloride?
The IUPAC name of 1-[1-[(3,5-diethoxyphenyl)methyl]piperidin-4-yl]-2-[5-(4-methoxyphenyl)pyrimidin-2-yl]-1-[1-[5-(4-methoxyphenyl)pyrimidin-2-yl]piperidin-4-yl]hydrazine;dihydrochloride (CID 68967196) is 1-[1-[(3,5-diethoxyphenyl)methyl]piperidin-4-yl]-2-[5-(4-methoxyphenyl)pyrimidin-2-yl]-1-[1-[5-(4-methoxyphenyl)pyrimidin-2-yl]piperidin-4-yl]hydrazine;dihydrochloride.
What is the SMILES notation for 1-[1-[(3,5-diethoxyphenyl)methyl]piperidin-4-yl]-2-[5-(4-methoxyphenyl)pyrimidin-2-yl]-1-[1-[5-(4-methoxyphenyl)pyrimidin-2-yl]piperidin-4-yl]hydrazine;dihydrochloride?
The canonical SMILES for 1-[1-[(3,5-diethoxyphenyl)methyl]piperidin-4-yl]-2-[5-(4-methoxyphenyl)pyrimidin-2-yl]-1-[1-[5-(4-methoxyphenyl)pyrimidin-2-yl]piperidin-4-yl]hydrazine;dihydrochloride is CCOc1cc(CN2CCC(N(Nc3ncc(-c4ccc(OC)cc4)cn3)C3CCN(c4ncc(-c5ccc(OC)cc5)cn4)CC3)CC2)cc(OCC)c1.Cl.Cl.
What is the InChIKey of 1-[1-[(3,5-diethoxyphenyl)methyl]piperidin-4-yl]-2-[5-(4-methoxyphenyl)pyrimidin-2-yl]-1-[1-[5-(4-methoxyphenyl)pyrimidin-2-yl]piperidin-4-yl]hydrazine;dihydrochloride?
The InChIKey is MBMNHIUCMYHUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H52N8O4.2ClH/c1-5-54-40-23-31(24-41(25-40)55-6-2)30-49-19-15-36(16-20-49)51(48-42-44-26-34(27-45-42)32-7-11-38(52-3)12-8-32)37-17-21-50(22-18-37)43-46-28-35(29-47-43)33-9-13-39(53-4)14-10-33;;/h7-14,23-29,36-37H,5-6,15-22,30H2,1-4H3,(H,44,45,48);2*1H.
What are the key properties of 1-[1-[(3,5-diethoxyphenyl)methyl]piperidin-4-yl]-2-[5-(4-methoxyphenyl)pyrimidin-2-yl]-1-[1-[5-(4-methoxyphenyl)pyrimidin-2-yl]piperidin-4-yl]hydrazine;dihydrochloride?
1-[1-[(3,5-diethoxyphenyl)methyl]piperidin-4-yl]-2-[5-(4-methoxyphenyl)pyrimidin-2-yl]-1-[1-[5-(4-methoxyphenyl)pyrimidin-2-yl]piperidin-4-yl]hydrazine;dihydrochloride has a molecular weight of 817.86 g/mol, XLogP of 8.22, 15 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3,5-diethoxyphenyl)methyl]piperidin-4-yl]-2-[5-(4-methoxyphenyl)pyrimidin-2-yl]-1-[1-[5-(4-methoxyphenyl)pyrimidin-2-yl]piperidin-4-yl]hydrazine;dihydrochloride is sourced from PubChem (CID 68967196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).