N',4-dimethyl-N-[(4-methylphenyl)methyl]piperidine-1-carboximidamide

C16H25N3 — CID 111212093

IUPACN',4-dimethyl-N-[(4-methylphenyl)methyl]piperidine-1-carboximidamide
SMILESC/N=C(\NCc1ccc(C)cc1)N1CCC(C)CC1
InChIInChI=1S/C16H25N3/c1-13-4-6-15(7-5-13)12-18-16(17-3)19-10-8-14(2)9-11-19/h4-7,14H,8-12H2,1-3H3,(H,17,18)
InChIKeyTWAVDQRHMDRTEM-UHFFFAOYSA-N
MW259.40 g/mol
LogP2.80
Rot. Bonds2

About N',4-dimethyl-N-[(4-methylphenyl)methyl]piperidine-1-carboximidamide

N',4-dimethyl-N-[(4-methylphenyl)methyl]piperidine-1-carboximidamide (PubChem CID 111212093) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is N',4-dimethyl-N-[(4-methylphenyl)methyl]piperidine-1-carboximidamide.

Molecular Properties

Compound NameN',4-dimethyl-N-[(4-methylphenyl)methyl]piperidine-1-carboximidamide
PubChem CID111212093
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC NameN',4-dimethyl-N-[(4-methylphenyl)methyl]piperidine-1-carboximidamide
SMILESC/N=C(\NCc1ccc(C)cc1)N1CCC(C)CC1
InChIInChI=1S/C16H25N3/c1-13-4-6-15(7-5-13)12-18-16(17-3)19-10-8-14(2)9-11-19/h4-7,14H,8-12H2,1-3H3,(H,17,18)
InChIKeyTWAVDQRHMDRTEM-UHFFFAOYSA-N
XLogP2.80
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

N-[(4-chlorophenyl)methyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111212084
N-[(4-methoxyphenyl)methyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111210992
N-[[4-(ethoxymethyl)phenyl]methyl]-N',4-dimethylpiperidine-1-carboximidamide
CID 111211979
N-[(4-methoxyphenyl)methyl]-2-[[N-methyl-C-(4-methylpiperidin-1-yl)carbonimidoyl]amino]acetamide
CID 111210945
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-N',4-dimethylpiperidine-1-carboximidamide
CID 111210327
N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111210928
N',3,3-trimethyl-N-[(4-methylphenyl)methyl]pyrrolidine-1-carboximidamide
CID 111738770
N',4-dimethyl-N-[(3-sulfamoylphenyl)methyl]piperidine-1-carboximidamide
CID 111210601
N',3,3-trimethyl-N-[(4-methylphenyl)methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111738769
N-[(4-methylphenyl)methyl]-4-(4-methylpiperidine-1-carbonyl)benzamide
CID 109044864
N',4-dimethyl-N-[4-(4-methylphenoxy)butyl]piperidine-1-carboximidamide;hydroiodide
CID 111212024
N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111210070

Frequently Asked Questions

What is the IUPAC name of N',4-dimethyl-N-[(4-methylphenyl)methyl]piperidine-1-carboximidamide?
The IUPAC name of N',4-dimethyl-N-[(4-methylphenyl)methyl]piperidine-1-carboximidamide (CID 111212093) is N',4-dimethyl-N-[(4-methylphenyl)methyl]piperidine-1-carboximidamide.
What is the SMILES notation for N',4-dimethyl-N-[(4-methylphenyl)methyl]piperidine-1-carboximidamide?
The canonical SMILES for N',4-dimethyl-N-[(4-methylphenyl)methyl]piperidine-1-carboximidamide is C/N=C(\NCc1ccc(C)cc1)N1CCC(C)CC1.
What is the InChIKey of N',4-dimethyl-N-[(4-methylphenyl)methyl]piperidine-1-carboximidamide?
The InChIKey is TWAVDQRHMDRTEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-13-4-6-15(7-5-13)12-18-16(17-3)19-10-8-14(2)9-11-19/h4-7,14H,8-12H2,1-3H3,(H,17,18).
What are the key properties of N',4-dimethyl-N-[(4-methylphenyl)methyl]piperidine-1-carboximidamide?
N',4-dimethyl-N-[(4-methylphenyl)methyl]piperidine-1-carboximidamide has a molecular weight of 259.40 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N',4-dimethyl-N-[(4-methylphenyl)methyl]piperidine-1-carboximidamide is sourced from PubChem (CID 111212093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).