N-(3-hydroxyphenyl)-3,5-dimethyl-N'-(2-methylcyclohexyl)piperidine-1-carboximidamide

C21H33N3O — CID 134121693

IUPACN-(3-hydroxyphenyl)-3,5-dimethyl-N'-(2-methylcyclohexyl)piperidine-1-carboximidamide
SMILESCC1CC(C)CN(/C(=N\C2CCCCC2C)Nc2cccc(O)c2)C1
InChIInChI=1S/C21H33N3O/c1-15-11-16(2)14-24(13-15)21(22-18-8-6-9-19(25)12-18)23-20-10-5-4-7-17(20)3/h6,8-9,12,15-17,20,25H,4-5,7,10-11,13-14H2,1-3H3,(H,22,23)
InChIKeyGJECFRQKVHOWIW-UHFFFAOYSA-N
MW343.51 g/mol
LogP4.72
Rot. Bonds2

About N-(3-hydroxyphenyl)-3,5-dimethyl-N'-(2-methylcyclohexyl)piperidine-1-carboximidamide

N-(3-hydroxyphenyl)-3,5-dimethyl-N'-(2-methylcyclohexyl)piperidine-1-carboximidamide (PubChem CID 134121693) has the molecular formula C21H33N3O and a molecular weight of 343.51 g/mol. Its IUPAC name is N-(3-hydroxyphenyl)-3,5-dimethyl-N'-(2-methylcyclohexyl)piperidine-1-carboximidamide.

Molecular Properties

Compound NameN-(3-hydroxyphenyl)-3,5-dimethyl-N'-(2-methylcyclohexyl)piperidine-1-carboximidamide
PubChem CID134121693
Molecular FormulaC21H33N3O
Molecular Weight343.51 g/mol
Exact Mass343.26
IUPAC NameN-(3-hydroxyphenyl)-3,5-dimethyl-N'-(2-methylcyclohexyl)piperidine-1-carboximidamide
SMILESCC1CC(C)CN(/C(=N\C2CCCCC2C)Nc2cccc(O)c2)C1
InChIInChI=1S/C21H33N3O/c1-15-11-16(2)14-24(13-15)21(22-18-8-6-9-19(25)12-18)23-20-10-5-4-7-17(20)3/h6,8-9,12,15-17,20,25H,4-5,7,10-11,13-14H2,1-3H3,(H,22,23)
InChIKeyGJECFRQKVHOWIW-UHFFFAOYSA-N
XLogP4.72
TPSA47.86 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.51
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)phenol
CID 43771013
N'-[(1S,2S)-2-aminocyclohexyl]-N-(3-fluorophenyl)-4-pyrrolidin-1-ylpiperidine-1-carboximidamide
CID 134091917
N'-[(1S,2S)-2-aminocyclohexyl]-N-(3-fluorophenyl)-2-methylpiperidine-1-carboximidamide
CID 134091927
N-(3-hydroxyphenyl)-2,6-dimethylpiperidine-1-carboxamide
CID 108895797
2-(cyclohexylmethyl)-1-(3-hydroxyphenyl)-3-(2-methylcyclohexyl)guanidine
CID 134121687
3-[(2,5-dimethylcyclohexyl)amino]phenol
CID 64776789
N-(3-hydroxyphenyl)-4-methylcyclohexane-1-carboxamide
CID 113287962
3-[(3,5-dimethylpiperidine-1-carbonyl)amino]benzoic acid
CID 61192662
3-[methyl-(2-methylcyclohexyl)amino]phenol
CID 139614787
N-(3-acetylphenyl)-2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetamide
CID 108514940
(2R,3S)-N-[3-[[(2S,3R)-2,3-dimethylpiperidine-1-carbonyl]amino]phenyl]-2,3-dimethylpiperidine-1-carboxamide
CID 7223934
N-[3-[[[(3,5-dimethylpiperidin-1-yl)-(ethylamino)methylidene]amino]methyl]phenyl]pyrrolidine-1-carboxamide;hydroiodide
CID 111153384

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxyphenyl)-3,5-dimethyl-N'-(2-methylcyclohexyl)piperidine-1-carboximidamide?
The IUPAC name of N-(3-hydroxyphenyl)-3,5-dimethyl-N'-(2-methylcyclohexyl)piperidine-1-carboximidamide (CID 134121693) is N-(3-hydroxyphenyl)-3,5-dimethyl-N'-(2-methylcyclohexyl)piperidine-1-carboximidamide.
What is the SMILES notation for N-(3-hydroxyphenyl)-3,5-dimethyl-N'-(2-methylcyclohexyl)piperidine-1-carboximidamide?
The canonical SMILES for N-(3-hydroxyphenyl)-3,5-dimethyl-N'-(2-methylcyclohexyl)piperidine-1-carboximidamide is CC1CC(C)CN(/C(=N\C2CCCCC2C)Nc2cccc(O)c2)C1.
What is the InChIKey of N-(3-hydroxyphenyl)-3,5-dimethyl-N'-(2-methylcyclohexyl)piperidine-1-carboximidamide?
The InChIKey is GJECFRQKVHOWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O/c1-15-11-16(2)14-24(13-15)21(22-18-8-6-9-19(25)12-18)23-20-10-5-4-7-17(20)3/h6,8-9,12,15-17,20,25H,4-5,7,10-11,13-14H2,1-3H3,(H,22,23).
What are the key properties of N-(3-hydroxyphenyl)-3,5-dimethyl-N'-(2-methylcyclohexyl)piperidine-1-carboximidamide?
N-(3-hydroxyphenyl)-3,5-dimethyl-N'-(2-methylcyclohexyl)piperidine-1-carboximidamide has a molecular weight of 343.51 g/mol, XLogP of 4.72, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxyphenyl)-3,5-dimethyl-N'-(2-methylcyclohexyl)piperidine-1-carboximidamide is sourced from PubChem (CID 134121693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).