N-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethyl]-4-phenyldiazenylnaphthalen-1-amine

C25H30N4 — CID 97355845

IUPACN-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethyl]-4-phenyldiazenylnaphthalen-1-amine
SMILESC[C@@H]1CCC[C@@H](C)N1CCNc1ccc(/N=N/c2ccccc2)c2ccccc12
InChIInChI=1S/C25H30N4/c1-19-9-8-10-20(2)29(19)18-17-26-24-15-16-25(23-14-7-6-13-22(23)24)28-27-21-11-4-3-5-12-21/h3-7,11-16,19-20,26H,8-10,17-18H2,1-2H3/b28-27+/t19-,20-/m1/s1
InChIKeyWMWDEXXJQCOTEU-QBVLGXCHSA-N
MW386.54 g/mol
LogP6.93
Rot. Bonds6

About N-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethyl]-4-phenyldiazenylnaphthalen-1-amine

N-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethyl]-4-phenyldiazenylnaphthalen-1-amine (PubChem CID 97355845) has the molecular formula C25H30N4 and a molecular weight of 386.54 g/mol. Its IUPAC name is N-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethyl]-4-phenyldiazenylnaphthalen-1-amine.

Molecular Properties

Compound NameN-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethyl]-4-phenyldiazenylnaphthalen-1-amine
PubChem CID97355845
Molecular FormulaC25H30N4
Molecular Weight386.54 g/mol
Exact Mass386.25
IUPAC NameN-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethyl]-4-phenyldiazenylnaphthalen-1-amine
SMILESC[C@@H]1CCC[C@@H](C)N1CCNc1ccc(/N=N/c2ccccc2)c2ccccc12
InChIInChI=1S/C25H30N4/c1-19-9-8-10-20(2)29(19)18-17-26-24-15-16-25(23-14-7-6-13-22(23)24)28-27-21-11-4-3-5-12-21/h3-7,11-16,19-20,26H,8-10,17-18H2,1-2H3/b28-27+/t19-,20-/m1/s1
InChIKeyWMWDEXXJQCOTEU-QBVLGXCHSA-N
XLogP6.93
TPSA39.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.54
LogP ≤ 56.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethyl]-4-phenyldiazenylnaphthalen-1-amine?
The IUPAC name of N-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethyl]-4-phenyldiazenylnaphthalen-1-amine (CID 97355845) is N-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethyl]-4-phenyldiazenylnaphthalen-1-amine.
What is the SMILES notation for N-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethyl]-4-phenyldiazenylnaphthalen-1-amine?
The canonical SMILES for N-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethyl]-4-phenyldiazenylnaphthalen-1-amine is C[C@@H]1CCC[C@@H](C)N1CCNc1ccc(/N=N/c2ccccc2)c2ccccc12.
What is the InChIKey of N-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethyl]-4-phenyldiazenylnaphthalen-1-amine?
The InChIKey is WMWDEXXJQCOTEU-QBVLGXCHSA-N. The full InChI is InChI=1S/C25H30N4/c1-19-9-8-10-20(2)29(19)18-17-26-24-15-16-25(23-14-7-6-13-22(23)24)28-27-21-11-4-3-5-12-21/h3-7,11-16,19-20,26H,8-10,17-18H2,1-2H3/b28-27+/t19-,20-/m1/s1.
What are the key properties of N-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethyl]-4-phenyldiazenylnaphthalen-1-amine?
N-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethyl]-4-phenyldiazenylnaphthalen-1-amine has a molecular weight of 386.54 g/mol, XLogP of 6.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethyl]-4-phenyldiazenylnaphthalen-1-amine is sourced from PubChem (CID 97355845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).