[2-[(2,4-diaminophenyl)diazenyl]phenyl] 4-(dimethylamino)piperidine-1-carboxylate

C20H26N6O2 — CID 174262403

IUPAC[2-[(2,4-diaminophenyl)diazenyl]phenyl] 4-(dimethylamino)piperidine-1-carboxylate
SMILESCN(C)C1CCN(C(=O)Oc2ccccc2/N=N/c2ccc(N)cc2N)CC1
InChIInChI=1S/C20H26N6O2/c1-25(2)15-9-11-26(12-10-15)20(27)28-19-6-4-3-5-18(19)24-23-17-8-7-14(21)13-16(17)22/h3-8,13,15H,9-12,21-22H2,1-2H3/b24-23+
InChIKeyHFSYEDQLPZGUCK-WCWDXBQESA-N
MW382.47 g/mol
LogP3.79
Rot. Bonds4

About [2-[(2,4-diaminophenyl)diazenyl]phenyl] 4-(dimethylamino)piperidine-1-carboxylate

[2-[(2,4-diaminophenyl)diazenyl]phenyl] 4-(dimethylamino)piperidine-1-carboxylate (PubChem CID 174262403) has the molecular formula C20H26N6O2 and a molecular weight of 382.47 g/mol. Its IUPAC name is [2-[(2,4-diaminophenyl)diazenyl]phenyl] 4-(dimethylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Name[2-[(2,4-diaminophenyl)diazenyl]phenyl] 4-(dimethylamino)piperidine-1-carboxylate
PubChem CID174262403
Molecular FormulaC20H26N6O2
Molecular Weight382.47 g/mol
Exact Mass382.21
IUPAC Name[2-[(2,4-diaminophenyl)diazenyl]phenyl] 4-(dimethylamino)piperidine-1-carboxylate
SMILESCN(C)C1CCN(C(=O)Oc2ccccc2/N=N/c2ccc(N)cc2N)CC1
InChIInChI=1S/C20H26N6O2/c1-25(2)15-9-11-26(12-10-15)20(27)28-19-6-4-3-5-18(19)24-23-17-8-7-14(21)13-16(17)22/h3-8,13,15H,9-12,21-22H2,1-2H3/b24-23+
InChIKeyHFSYEDQLPZGUCK-WCWDXBQESA-N
XLogP3.79
TPSA109.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

[2-[(6-amino-2-ethyl-3-pyridinyl)diazenyl]phenyl] 4-(1,4-oxazepan-4-yl)piperidine-1-carboxylate
CID 164908660
(5-amino-2-fluorophenyl)-[4-(dimethylamino)piperidin-1-yl]methanone
CID 43585610
(2-aminophenyl) 4-(azepan-1-yl)piperidine-1-carboxylate
CID 164909292
benzyl 4-(dimethylamino)azepane-1-carboxylate
CID 59598099
[2-[[2-amino-6-[(2-aminoacetyl)amino]-3-pyridinyl]diazenyl]phenyl] morpholine-4-carboxylate
CID 164909336
[4-(dimethylamino)piperidin-1-yl]-phenylmethanone;ethane;methanamine
CID 54098461
[5-amino-2-(dimethylamino)phenyl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 63165923
2,4-diamino-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 61092236
(2-aminophenyl) 4-[ethyl(propyl)amino]piperidine-1-carboxylate;pyridine-2,3,6-triamine
CID 164909242
tert-butyl 4-[4-amino-2-(trifluoromethyl)phenyl]piperidine-1-carboxylate
CID 90028532
(2,4-diaminophenyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 63168429
(4-amino-5-chloro-2-methoxyphenyl)-[4-(dimethylamino)piperidin-1-yl]methanone
CID 90104894

Frequently Asked Questions

What is the IUPAC name of [2-[(2,4-diaminophenyl)diazenyl]phenyl] 4-(dimethylamino)piperidine-1-carboxylate?
The IUPAC name of [2-[(2,4-diaminophenyl)diazenyl]phenyl] 4-(dimethylamino)piperidine-1-carboxylate (CID 174262403) is [2-[(2,4-diaminophenyl)diazenyl]phenyl] 4-(dimethylamino)piperidine-1-carboxylate.
What is the SMILES notation for [2-[(2,4-diaminophenyl)diazenyl]phenyl] 4-(dimethylamino)piperidine-1-carboxylate?
The canonical SMILES for [2-[(2,4-diaminophenyl)diazenyl]phenyl] 4-(dimethylamino)piperidine-1-carboxylate is CN(C)C1CCN(C(=O)Oc2ccccc2/N=N/c2ccc(N)cc2N)CC1.
What is the InChIKey of [2-[(2,4-diaminophenyl)diazenyl]phenyl] 4-(dimethylamino)piperidine-1-carboxylate?
The InChIKey is HFSYEDQLPZGUCK-WCWDXBQESA-N. The full InChI is InChI=1S/C20H26N6O2/c1-25(2)15-9-11-26(12-10-15)20(27)28-19-6-4-3-5-18(19)24-23-17-8-7-14(21)13-16(17)22/h3-8,13,15H,9-12,21-22H2,1-2H3/b24-23+.
What are the key properties of [2-[(2,4-diaminophenyl)diazenyl]phenyl] 4-(dimethylamino)piperidine-1-carboxylate?
[2-[(2,4-diaminophenyl)diazenyl]phenyl] 4-(dimethylamino)piperidine-1-carboxylate has a molecular weight of 382.47 g/mol, XLogP of 3.79, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2,4-diaminophenyl)diazenyl]phenyl] 4-(dimethylamino)piperidine-1-carboxylate is sourced from PubChem (CID 174262403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).