1-(2-ethylcyclohepta-1,3,6-trien-1-yl)-1-methyl-2-[2-[5-(4-piperidin-1-ylphenyl)-2-pyridinyl]ethyl]hydrazine

C28H36N4 — CID 130373502

IUPAC1-(2-ethylcyclohepta-1,3,6-trien-1-yl)-1-methyl-2-[2-[5-(4-piperidin-1-ylphenyl)-2-pyridinyl]ethyl]hydrazine
SMILESCCC1=C(N(C)NCCc2ccc(-c3ccc(N4CCCCC4)cc3)cn2)C=CCC=C1
InChIInChI=1S/C28H36N4/c1-3-23-10-6-4-7-11-28(23)31(2)30-19-18-26-15-12-25(22-29-26)24-13-16-27(17-14-24)32-20-8-5-9-21-32/h6-7,10-17,22,30H,3-5,8-9,18-21H2,1-2H3
InChIKeyADJWQKBMJPAVMB-UHFFFAOYSA-N
MW428.62 g/mol
LogP5.90
Rot. Bonds8

About 1-(2-ethylcyclohepta-1,3,6-trien-1-yl)-1-methyl-2-[2-[5-(4-piperidin-1-ylphenyl)-2-pyridinyl]ethyl]hydrazine

1-(2-ethylcyclohepta-1,3,6-trien-1-yl)-1-methyl-2-[2-[5-(4-piperidin-1-ylphenyl)-2-pyridinyl]ethyl]hydrazine (PubChem CID 130373502) has the molecular formula C28H36N4 and a molecular weight of 428.62 g/mol. Its IUPAC name is 1-(2-ethylcyclohepta-1,3,6-trien-1-yl)-1-methyl-2-[2-[5-(4-piperidin-1-ylphenyl)-2-pyridinyl]ethyl]hydrazine.

Molecular Properties

Compound Name1-(2-ethylcyclohepta-1,3,6-trien-1-yl)-1-methyl-2-[2-[5-(4-piperidin-1-ylphenyl)-2-pyridinyl]ethyl]hydrazine
PubChem CID130373502
Molecular FormulaC28H36N4
Molecular Weight428.62 g/mol
Exact Mass428.29
IUPAC Name1-(2-ethylcyclohepta-1,3,6-trien-1-yl)-1-methyl-2-[2-[5-(4-piperidin-1-ylphenyl)-2-pyridinyl]ethyl]hydrazine
SMILESCCC1=C(N(C)NCCc2ccc(-c3ccc(N4CCCCC4)cc3)cn2)C=CCC=C1
InChIInChI=1S/C28H36N4/c1-3-23-10-6-4-7-11-28(23)31(2)30-19-18-26-15-12-25(22-29-26)24-13-16-27(17-14-24)32-20-8-5-9-21-32/h6-7,10-17,22,30H,3-5,8-9,18-21H2,1-2H3
InChIKeyADJWQKBMJPAVMB-UHFFFAOYSA-N
XLogP5.90
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.62
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[5-(4-piperidin-1-ylphenyl)-2-pyridinyl]acetonitrile
CID 134287245
ethane;2-ethyl-5-piperidin-1-ylpyridine
CID 144862663
4-[4-(6-ethyl-3-pyridinyl)phenyl]morpholine;4-[4-(6-fluoro-3-pyridinyl)phenyl]morpholine
CID 159348148
N-methyl-2-(4-piperidin-1-yl-2-pyridinyl)ethanamine
CID 83889053
1-[4-(2,3-dimethylimidazol-4-yl)phenyl]piperidine
CID 155673275
1,16-diazatricyclo[14.14.4.231,34]hexatriaconta-31,33,35-triene
CID 177496449
2-(4-piperidin-1-ylphenyl)pyrazine
CID 90697442
2-(dimethylsulfamoylamino)-5-pyrrolidin-1-ylpyridine
CID 113024377
4-(4-piperidin-1-ylphenyl)aniline
CID 45277459
1-(4-pentan-3-ylphenyl)piperidine
CID 170127380
N-[5-(azepan-1-yl)-2-pyridinyl]propanamide
CID 39072195
7-(6-ethyl-3-pyridinyl)-2,7-diazaspiro[3.5]nonane
CID 129276102

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylcyclohepta-1,3,6-trien-1-yl)-1-methyl-2-[2-[5-(4-piperidin-1-ylphenyl)-2-pyridinyl]ethyl]hydrazine?
The IUPAC name of 1-(2-ethylcyclohepta-1,3,6-trien-1-yl)-1-methyl-2-[2-[5-(4-piperidin-1-ylphenyl)-2-pyridinyl]ethyl]hydrazine (CID 130373502) is 1-(2-ethylcyclohepta-1,3,6-trien-1-yl)-1-methyl-2-[2-[5-(4-piperidin-1-ylphenyl)-2-pyridinyl]ethyl]hydrazine.
What is the SMILES notation for 1-(2-ethylcyclohepta-1,3,6-trien-1-yl)-1-methyl-2-[2-[5-(4-piperidin-1-ylphenyl)-2-pyridinyl]ethyl]hydrazine?
The canonical SMILES for 1-(2-ethylcyclohepta-1,3,6-trien-1-yl)-1-methyl-2-[2-[5-(4-piperidin-1-ylphenyl)-2-pyridinyl]ethyl]hydrazine is CCC1=C(N(C)NCCc2ccc(-c3ccc(N4CCCCC4)cc3)cn2)C=CCC=C1.
What is the InChIKey of 1-(2-ethylcyclohepta-1,3,6-trien-1-yl)-1-methyl-2-[2-[5-(4-piperidin-1-ylphenyl)-2-pyridinyl]ethyl]hydrazine?
The InChIKey is ADJWQKBMJPAVMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N4/c1-3-23-10-6-4-7-11-28(23)31(2)30-19-18-26-15-12-25(22-29-26)24-13-16-27(17-14-24)32-20-8-5-9-21-32/h6-7,10-17,22,30H,3-5,8-9,18-21H2,1-2H3.
What are the key properties of 1-(2-ethylcyclohepta-1,3,6-trien-1-yl)-1-methyl-2-[2-[5-(4-piperidin-1-ylphenyl)-2-pyridinyl]ethyl]hydrazine?
1-(2-ethylcyclohepta-1,3,6-trien-1-yl)-1-methyl-2-[2-[5-(4-piperidin-1-ylphenyl)-2-pyridinyl]ethyl]hydrazine has a molecular weight of 428.62 g/mol, XLogP of 5.90, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylcyclohepta-1,3,6-trien-1-yl)-1-methyl-2-[2-[5-(4-piperidin-1-ylphenyl)-2-pyridinyl]ethyl]hydrazine is sourced from PubChem (CID 130373502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).