N-(5-tert-butyl-2-hydroxyphenyl)-N'-cyclohexyl-3,5-dimethylpiperazine-1-carboximidamide

C23H38N4O — CID 134099665

IUPACN-(5-tert-butyl-2-hydroxyphenyl)-N'-cyclohexyl-3,5-dimethylpiperazine-1-carboximidamide
SMILESCC1CN(/C(=N\C2CCCCC2)Nc2cc(C(C)(C)C)ccc2O)CC(C)N1
InChIInChI=1S/C23H38N4O/c1-16-14-27(15-17(2)24-16)22(25-19-9-7-6-8-10-19)26-20-13-18(23(3,4)5)11-12-21(20)28/h11-13,16-17,19,24,28H,6-10,14-15H2,1-5H3,(H,25,26)
InChIKeyBCINKAIHMISUKI-UHFFFAOYSA-N
MW386.58 g/mol
LogP4.47
Rot. Bonds2

About N-(5-tert-butyl-2-hydroxyphenyl)-N'-cyclohexyl-3,5-dimethylpiperazine-1-carboximidamide

N-(5-tert-butyl-2-hydroxyphenyl)-N'-cyclohexyl-3,5-dimethylpiperazine-1-carboximidamide (PubChem CID 134099665) has the molecular formula C23H38N4O and a molecular weight of 386.58 g/mol. Its IUPAC name is N-(5-tert-butyl-2-hydroxyphenyl)-N'-cyclohexyl-3,5-dimethylpiperazine-1-carboximidamide.

Molecular Properties

Compound NameN-(5-tert-butyl-2-hydroxyphenyl)-N'-cyclohexyl-3,5-dimethylpiperazine-1-carboximidamide
PubChem CID134099665
Molecular FormulaC23H38N4O
Molecular Weight386.58 g/mol
Exact Mass386.30
IUPAC NameN-(5-tert-butyl-2-hydroxyphenyl)-N'-cyclohexyl-3,5-dimethylpiperazine-1-carboximidamide
SMILESCC1CN(/C(=N\C2CCCCC2)Nc2cc(C(C)(C)C)ccc2O)CC(C)N1
InChIInChI=1S/C23H38N4O/c1-16-14-27(15-17(2)24-16)22(25-19-9-7-6-8-10-19)26-20-13-18(23(3,4)5)11-12-21(20)28/h11-13,16-17,19,24,28H,6-10,14-15H2,1-5H3,(H,25,26)
InChIKeyBCINKAIHMISUKI-UHFFFAOYSA-N
XLogP4.47
TPSA59.89 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.58
LogP ≤ 54.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-(5-tert-butyl-2-hydroxyphenyl)-N'-cyclopropylpiperidine-1-carboximidamide
CID 134121786
N'-(3-ethoxypropyl)-N-(5-fluoro-2-hydroxyphenyl)-3,5-dimethylpiperazine-1-carboximidamide
CID 134111496
N-(5-tert-butyl-2-hydroxyphenyl)-1-(2-methylpropanoyl)piperidine-3-carboxamide
CID 47021187
N-(5-tert-butyl-2-hydroxyphenyl)-2-methyl-N'-(thiophen-2-ylmethyl)piperidine-1-carboximidamide
CID 134088813
N,N'-bis(5-tert-butyl-2-hydroxyphenyl)oxamide
CID 10524086
4-tert-butyl-2-(propan-2-ylamino)phenol
CID 23106838
1-(5-tert-butyl-2-hydroxyphenyl)-3-cycloheptyl-2-(2-methoxyethyl)guanidine
CID 134091720
methyl 3-[[C-(3,5-dimethylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)carbonimidoyl]amino]-4-hydroxybenzoate
CID 134091752
4-tert-butyl-2-cyclohexylphenol;methane
CID 174535578
N-(5-tert-butyl-2-hydroxyphenyl)-4-(cyclohexylcarbamoylamino)butanamide
CID 31031780
4-tert-butyl-2-[[2-[(5-tert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol
CID 136775436
1-amino-2-cyclopentyl-3-[2-methyl-5-(trifluoromethyl)phenyl]guanidine
CID 116515674

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-2-hydroxyphenyl)-N'-cyclohexyl-3,5-dimethylpiperazine-1-carboximidamide?
The IUPAC name of N-(5-tert-butyl-2-hydroxyphenyl)-N'-cyclohexyl-3,5-dimethylpiperazine-1-carboximidamide (CID 134099665) is N-(5-tert-butyl-2-hydroxyphenyl)-N'-cyclohexyl-3,5-dimethylpiperazine-1-carboximidamide.
What is the SMILES notation for N-(5-tert-butyl-2-hydroxyphenyl)-N'-cyclohexyl-3,5-dimethylpiperazine-1-carboximidamide?
The canonical SMILES for N-(5-tert-butyl-2-hydroxyphenyl)-N'-cyclohexyl-3,5-dimethylpiperazine-1-carboximidamide is CC1CN(/C(=N\C2CCCCC2)Nc2cc(C(C)(C)C)ccc2O)CC(C)N1.
What is the InChIKey of N-(5-tert-butyl-2-hydroxyphenyl)-N'-cyclohexyl-3,5-dimethylpiperazine-1-carboximidamide?
The InChIKey is BCINKAIHMISUKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38N4O/c1-16-14-27(15-17(2)24-16)22(25-19-9-7-6-8-10-19)26-20-13-18(23(3,4)5)11-12-21(20)28/h11-13,16-17,19,24,28H,6-10,14-15H2,1-5H3,(H,25,26).
What are the key properties of N-(5-tert-butyl-2-hydroxyphenyl)-N'-cyclohexyl-3,5-dimethylpiperazine-1-carboximidamide?
N-(5-tert-butyl-2-hydroxyphenyl)-N'-cyclohexyl-3,5-dimethylpiperazine-1-carboximidamide has a molecular weight of 386.58 g/mol, XLogP of 4.47, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-2-hydroxyphenyl)-N'-cyclohexyl-3,5-dimethylpiperazine-1-carboximidamide is sourced from PubChem (CID 134099665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).