N',3,5-trimethyl-N-[4-(2-phenylethoxy)butyl]piperidine-1-carboximidamide

C21H35N3O — CID 111153799

IUPACN',3,5-trimethyl-N-[4-(2-phenylethoxy)butyl]piperidine-1-carboximidamide
SMILESC/N=C(\NCCCCOCCc1ccccc1)N1CC(C)CC(C)C1
InChIInChI=1S/C21H35N3O/c1-18-15-19(2)17-24(16-18)21(22-3)23-12-7-8-13-25-14-11-20-9-5-4-6-10-20/h4-6,9-10,18-19H,7-8,11-17H2,1-3H3,(H,22,23)
InChIKeyOOZZOBJSTIUKFX-UHFFFAOYSA-N
MW345.53 g/mol
LogP3.58
Rot. Bonds8

About N',3,5-trimethyl-N-[4-(2-phenylethoxy)butyl]piperidine-1-carboximidamide

N',3,5-trimethyl-N-[4-(2-phenylethoxy)butyl]piperidine-1-carboximidamide (PubChem CID 111153799) has the molecular formula C21H35N3O and a molecular weight of 345.53 g/mol. Its IUPAC name is N',3,5-trimethyl-N-[4-(2-phenylethoxy)butyl]piperidine-1-carboximidamide.

Molecular Properties

Compound NameN',3,5-trimethyl-N-[4-(2-phenylethoxy)butyl]piperidine-1-carboximidamide
PubChem CID111153799
Molecular FormulaC21H35N3O
Molecular Weight345.53 g/mol
Exact Mass345.28
IUPAC NameN',3,5-trimethyl-N-[4-(2-phenylethoxy)butyl]piperidine-1-carboximidamide
SMILESC/N=C(\NCCCCOCCc1ccccc1)N1CC(C)CC(C)C1
InChIInChI=1S/C21H35N3O/c1-18-15-19(2)17-24(16-18)21(22-3)23-12-7-8-13-25-14-11-20-9-5-4-6-10-20/h4-6,9-10,18-19H,7-8,11-17H2,1-3H3,(H,22,23)
InChIKeyOOZZOBJSTIUKFX-UHFFFAOYSA-N
XLogP3.58
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.53
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2-methoxyethoxymethyl)-N'-methyl-N-[4-(2-phenylethoxy)butyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111745506
N-(4-ethoxybutyl)-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide
CID 111154220
N',4-dimethyl-N-(3-phenylpropyl)piperidine-1-carboximidamide
CID 111210681
4-(2-methoxyphenyl)-N'-methyl-N-[4-(2-phenylethoxy)butyl]piperazine-1-carboximidamide;hydroiodide
CID 111133202
5-methyl-1-[3-(2-phenylethoxy)propylcarbamoyl]piperidine-3-carboxylic acid
CID 122122348
4-(3-methoxyphenyl)-N'-methyl-N-[4-(2-phenylethoxy)butyl]piperazine-1-carboximidamide
CID 111291275
N',4-dimethyl-N-(2-phenylethyl)piperidine-1-carboximidamide
CID 111211565
ethyl 1-[N'-methyl-N-[3-(2-phenylethoxy)propyl]carbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111155227
N'-methyl-N-[3-(2-phenylethoxy)propyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109379268
N-[3-(furan-2-ylmethoxy)propyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide
CID 111153081
N-benzyl-3-[[C-(3,5-dimethylpiperidin-1-yl)-N-methylcarbonimidoyl]amino]propanamide
CID 111154521
2-methyl-1-[4-(2-phenylethoxy)butyl]-3-(1-phenylpyrrolidin-3-yl)guanidine;hydroiodide
CID 111911054

Frequently Asked Questions

What is the IUPAC name of N',3,5-trimethyl-N-[4-(2-phenylethoxy)butyl]piperidine-1-carboximidamide?
The IUPAC name of N',3,5-trimethyl-N-[4-(2-phenylethoxy)butyl]piperidine-1-carboximidamide (CID 111153799) is N',3,5-trimethyl-N-[4-(2-phenylethoxy)butyl]piperidine-1-carboximidamide.
What is the SMILES notation for N',3,5-trimethyl-N-[4-(2-phenylethoxy)butyl]piperidine-1-carboximidamide?
The canonical SMILES for N',3,5-trimethyl-N-[4-(2-phenylethoxy)butyl]piperidine-1-carboximidamide is C/N=C(\NCCCCOCCc1ccccc1)N1CC(C)CC(C)C1.
What is the InChIKey of N',3,5-trimethyl-N-[4-(2-phenylethoxy)butyl]piperidine-1-carboximidamide?
The InChIKey is OOZZOBJSTIUKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N3O/c1-18-15-19(2)17-24(16-18)21(22-3)23-12-7-8-13-25-14-11-20-9-5-4-6-10-20/h4-6,9-10,18-19H,7-8,11-17H2,1-3H3,(H,22,23).
What are the key properties of N',3,5-trimethyl-N-[4-(2-phenylethoxy)butyl]piperidine-1-carboximidamide?
N',3,5-trimethyl-N-[4-(2-phenylethoxy)butyl]piperidine-1-carboximidamide has a molecular weight of 345.53 g/mol, XLogP of 3.58, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',3,5-trimethyl-N-[4-(2-phenylethoxy)butyl]piperidine-1-carboximidamide is sourced from PubChem (CID 111153799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).