3-[(1Z,3E)-1,4-diamino-4-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]buta-1,3-dienyl]naphthalen-2-ol

C24H34N4O — CID 167227450

IUPAC3-[(1Z,3E)-1,4-diamino-4-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]buta-1,3-dienyl]naphthalen-2-ol
SMILESCN(/C(N)=C/C=C(\N)c1cc2ccccc2cc1O)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C24H34N4O/c1-23(2)14-18(15-24(3,4)27-23)28(5)22(26)11-10-20(25)19-12-16-8-6-7-9-17(16)13-21(19)29/h6-13,18,27,29H,14-15,25-26H2,1-5H3/b20-10-,22-11+
InChIKeyAZIPCSXBSVRNNN-VPAXRDDUSA-N
MW394.56 g/mol
LogP3.89
Rot. Bonds4

About 3-[(1Z,3E)-1,4-diamino-4-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]buta-1,3-dienyl]naphthalen-2-ol

3-[(1Z,3E)-1,4-diamino-4-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]buta-1,3-dienyl]naphthalen-2-ol (PubChem CID 167227450) has the molecular formula C24H34N4O and a molecular weight of 394.56 g/mol. Its IUPAC name is 3-[(1Z,3E)-1,4-diamino-4-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]buta-1,3-dienyl]naphthalen-2-ol.

Molecular Properties

Compound Name3-[(1Z,3E)-1,4-diamino-4-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]buta-1,3-dienyl]naphthalen-2-ol
PubChem CID167227450
Molecular FormulaC24H34N4O
Molecular Weight394.56 g/mol
Exact Mass394.27
IUPAC Name3-[(1Z,3E)-1,4-diamino-4-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]buta-1,3-dienyl]naphthalen-2-ol
SMILESCN(/C(N)=C/C=C(\N)c1cc2ccccc2cc1O)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C24H34N4O/c1-23(2)14-18(15-24(3,4)27-23)28(5)22(26)11-10-20(25)19-12-16-8-6-7-9-17(16)13-21(19)29/h6-13,18,27,29H,14-15,25-26H2,1-5H3/b20-10-,22-11+
InChIKeyAZIPCSXBSVRNNN-VPAXRDDUSA-N
XLogP3.89
TPSA87.54 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.56
LogP ≤ 53.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

1-(1-Piperidinylmethyl)-2-naphthalenol
CID 21436
2-Naphthol, 1-((2-methylpiperidino)methyl)-
CID 60281
3-[(Cyclohexylamino)methyl]naphthalen-2-ol;hydrochloride
CID 44523412
1,5-Bis[(pentan-3-ylamino)methyl]naphthalene-2,6-diol;hydrochloride
CID 44531436
1,5-Bis[(butan-2-ylamino)methyl]naphthalene-2,6-diol;hydrochloride
CID 44531443
1-[[(3-Methylcyclohexyl)amino]methyl]naphthalen-2-ol;hydrochloride
CID 44531472
1-[[(4-Methylcyclohexyl)amino]methyl]naphthalen-2-ol;hydrochloride
CID 44531473
1-[(4-Methylpiperidin-1-yl)methyl]naphthalen-2-ol
CID 755868
1-{2-Methyl-1-[(1-phenylethyl)amino]propyl}-2-naphthol
CID 1820162
1-[[3-[4-[3-[(2-Hydroxyphenyl)methylamino]propylamino]butylamino]propylamino]methyl]naphthalen-2-ol
CID 166629388
2-[[3-[4-[3-[(2-Hydroxyphenyl)methylamino]propylamino]butylamino]propylamino]methyl]naphthalen-1-ol
CID 166632405
2-Naphthol, 1-((2,4-dimethylpiperidino)methyl)-
CID 58888

Frequently Asked Questions

What is the IUPAC name of 3-[(1Z,3E)-1,4-diamino-4-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]buta-1,3-dienyl]naphthalen-2-ol?
The IUPAC name of 3-[(1Z,3E)-1,4-diamino-4-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]buta-1,3-dienyl]naphthalen-2-ol (CID 167227450) is 3-[(1Z,3E)-1,4-diamino-4-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]buta-1,3-dienyl]naphthalen-2-ol.
What is the SMILES notation for 3-[(1Z,3E)-1,4-diamino-4-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]buta-1,3-dienyl]naphthalen-2-ol?
The canonical SMILES for 3-[(1Z,3E)-1,4-diamino-4-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]buta-1,3-dienyl]naphthalen-2-ol is CN(/C(N)=C/C=C(\N)c1cc2ccccc2cc1O)C1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 3-[(1Z,3E)-1,4-diamino-4-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]buta-1,3-dienyl]naphthalen-2-ol?
The InChIKey is AZIPCSXBSVRNNN-VPAXRDDUSA-N. The full InChI is InChI=1S/C24H34N4O/c1-23(2)14-18(15-24(3,4)27-23)28(5)22(26)11-10-20(25)19-12-16-8-6-7-9-17(16)13-21(19)29/h6-13,18,27,29H,14-15,25-26H2,1-5H3/b20-10-,22-11+.
What are the key properties of 3-[(1Z,3E)-1,4-diamino-4-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]buta-1,3-dienyl]naphthalen-2-ol?
3-[(1Z,3E)-1,4-diamino-4-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]buta-1,3-dienyl]naphthalen-2-ol has a molecular weight of 394.56 g/mol, XLogP of 3.89, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1Z,3E)-1,4-diamino-4-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]buta-1,3-dienyl]naphthalen-2-ol is sourced from PubChem (CID 167227450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).