1-[(3,5-dimethoxyphenyl)methyl]-1-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]hydrazine

C19H27N5O3 — CID 122643476

IUPAC1-[(3,5-dimethoxyphenyl)methyl]-1-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]hydrazine
SMILESCOc1cc(CN(N)C2CCN(c3ccnc(OC)n3)CC2)cc(OC)c1
InChIInChI=1S/C19H27N5O3/c1-25-16-10-14(11-17(12-16)26-2)13-24(20)15-5-8-23(9-6-15)18-4-7-21-19(22-18)27-3/h4,7,10-12,15H,5-6,8-9,13,20H2,1-3H3
InChIKeyZTMJKNRQHZBQGX-UHFFFAOYSA-N
MW373.46 g/mol
LogP1.85
Rot. Bonds7

About 1-[(3,5-dimethoxyphenyl)methyl]-1-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]hydrazine

1-[(3,5-dimethoxyphenyl)methyl]-1-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]hydrazine (PubChem CID 122643476) has the molecular formula C19H27N5O3 and a molecular weight of 373.46 g/mol. Its IUPAC name is 1-[(3,5-dimethoxyphenyl)methyl]-1-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]hydrazine.

Molecular Properties

Compound Name1-[(3,5-dimethoxyphenyl)methyl]-1-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]hydrazine
PubChem CID122643476
Molecular FormulaC19H27N5O3
Molecular Weight373.46 g/mol
Exact Mass373.21
IUPAC Name1-[(3,5-dimethoxyphenyl)methyl]-1-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]hydrazine
SMILESCOc1cc(CN(N)C2CCN(c3ccnc(OC)n3)CC2)cc(OC)c1
InChIInChI=1S/C19H27N5O3/c1-25-16-10-14(11-17(12-16)26-2)13-24(20)15-5-8-23(9-6-15)18-4-7-21-19(22-18)27-3/h4,7,10-12,15H,5-6,8-9,13,20H2,1-3H3
InChIKeyZTMJKNRQHZBQGX-UHFFFAOYSA-N
XLogP1.85
TPSA85.97 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

4-[[[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-methylamino]methyl]benzonitrile
CID 118190217
1-(2-methoxypyrimidin-4-yl)-N-methyl-N-(naphthalen-1-ylmethyl)piperidin-4-amine
CID 118190332
N-(4-methoxy-2-methylphenyl)-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]acetamide
CID 53189262
(3aR,6aS)-2-(2-methoxypyrimidin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 167026643
S-(4-fluorophenyl) N-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-N-methylcarbamothioate
CID 118191153
2-[2-[[(aminomethylideneamino)methylideneamino]methyl]pyrrolidin-1-yl]-N-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-N-methylacetamide
CID 144864037
tert-butyl N-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]carbamate
CID 71301860
2-methoxy-4-[3-(2H-tetrazol-5-yl)piperidin-1-yl]pyrimidine
CID 141138700
N-(2,4-dimethylphenyl)-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]acetamide
CID 53189218
5-(2-methoxypyrimidin-4-yl)-5-azaspiro[2.5]octane-8-carbonyl chloride
CID 155273088
2-[4-(2-aminopyrimidin-4-yl)-1-[(3,5-dimethoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 70718715
1-(4-methoxy-2-pyridinyl)pyrrolidin-3-amine
CID 83618665

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethoxyphenyl)methyl]-1-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]hydrazine?
The IUPAC name of 1-[(3,5-dimethoxyphenyl)methyl]-1-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]hydrazine (CID 122643476) is 1-[(3,5-dimethoxyphenyl)methyl]-1-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]hydrazine.
What is the SMILES notation for 1-[(3,5-dimethoxyphenyl)methyl]-1-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]hydrazine?
The canonical SMILES for 1-[(3,5-dimethoxyphenyl)methyl]-1-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]hydrazine is COc1cc(CN(N)C2CCN(c3ccnc(OC)n3)CC2)cc(OC)c1.
What is the InChIKey of 1-[(3,5-dimethoxyphenyl)methyl]-1-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]hydrazine?
The InChIKey is ZTMJKNRQHZBQGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O3/c1-25-16-10-14(11-17(12-16)26-2)13-24(20)15-5-8-23(9-6-15)18-4-7-21-19(22-18)27-3/h4,7,10-12,15H,5-6,8-9,13,20H2,1-3H3.
What are the key properties of 1-[(3,5-dimethoxyphenyl)methyl]-1-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]hydrazine?
1-[(3,5-dimethoxyphenyl)methyl]-1-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]hydrazine has a molecular weight of 373.46 g/mol, XLogP of 1.85, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethoxyphenyl)methyl]-1-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]hydrazine is sourced from PubChem (CID 122643476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).