N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-N',3-dimethylpiperidine-1-carboximidamide

C19H32N4O — CID 111144724

IUPACN-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-N',3-dimethylpiperidine-1-carboximidamide
SMILESC/N=C(\NCc1cccc(OCCN(C)C)c1)N1CCCC(C)C1
InChIInChI=1S/C19H32N4O/c1-16-7-6-10-23(15-16)19(20-2)21-14-17-8-5-9-18(13-17)24-12-11-22(3)4/h5,8-9,13,16H,6-7,10-12,14-15H2,1-4H3,(H,20,21)
InChIKeyITXPGKCWCODSLT-UHFFFAOYSA-N
MW332.49 g/mol
LogP2.43
Rot. Bonds6

About N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-N',3-dimethylpiperidine-1-carboximidamide

N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-N',3-dimethylpiperidine-1-carboximidamide (PubChem CID 111144724) has the molecular formula C19H32N4O and a molecular weight of 332.49 g/mol. Its IUPAC name is N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-N',3-dimethylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-N',3-dimethylpiperidine-1-carboximidamide
PubChem CID111144724
Molecular FormulaC19H32N4O
Molecular Weight332.49 g/mol
Exact Mass332.26
IUPAC NameN-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-N',3-dimethylpiperidine-1-carboximidamide
SMILESC/N=C(\NCc1cccc(OCCN(C)C)c1)N1CCCC(C)C1
InChIInChI=1S/C19H32N4O/c1-16-7-6-10-23(15-16)19(20-2)21-14-17-8-5-9-18(13-17)24-12-11-22(3)4/h5,8-9,13,16H,6-7,10-12,14-15H2,1-4H3,(H,20,21)
InChIKeyITXPGKCWCODSLT-UHFFFAOYSA-N
XLogP2.43
TPSA40.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111211952
N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-3-(2-methoxyethoxymethyl)-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 111747746
N-cyclopropyl-2-[3-[[[N-methyl-C-(3-methylpiperidin-1-yl)carbonimidoyl]amino]methyl]phenoxy]acetamide
CID 111145844
N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-N'-methyl-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111527532
N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide
CID 111739802
N',3-dimethyl-N-[(3-methylphenyl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111145047
N',3-dimethyl-N-[2-(3-methylphenoxy)ethyl]piperidine-1-carboximidamide
CID 111143750
N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-4-(2-fluorophenyl)-N'-methylpiperazine-1-carboximidamide
CID 111148653
N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-4-(3-methoxyphenyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111291136
N-[2-(3-fluorophenoxy)ethyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111144151
N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-4-(2-methoxyphenyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111133148
N',3-dimethyl-N-[(3-nitrophenyl)methyl]piperidine-1-carboximidamide
CID 111144184

Frequently Asked Questions

What is the IUPAC name of N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-N',3-dimethylpiperidine-1-carboximidamide?
The IUPAC name of N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-N',3-dimethylpiperidine-1-carboximidamide (CID 111144724) is N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-N',3-dimethylpiperidine-1-carboximidamide.
What is the SMILES notation for N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-N',3-dimethylpiperidine-1-carboximidamide?
The canonical SMILES for N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-N',3-dimethylpiperidine-1-carboximidamide is C/N=C(\NCc1cccc(OCCN(C)C)c1)N1CCCC(C)C1.
What is the InChIKey of N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-N',3-dimethylpiperidine-1-carboximidamide?
The InChIKey is ITXPGKCWCODSLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O/c1-16-7-6-10-23(15-16)19(20-2)21-14-17-8-5-9-18(13-17)24-12-11-22(3)4/h5,8-9,13,16H,6-7,10-12,14-15H2,1-4H3,(H,20,21).
What are the key properties of N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-N',3-dimethylpiperidine-1-carboximidamide?
N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-N',3-dimethylpiperidine-1-carboximidamide has a molecular weight of 332.49 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-N',3-dimethylpiperidine-1-carboximidamide is sourced from PubChem (CID 111144724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).