N'-[3-[benzyl(methyl)amino]butyl]piperidine-1-carboximidamide

C18H30N4 — CID 111600364

IUPACN'-[3-[benzyl(methyl)amino]butyl]piperidine-1-carboximidamide
SMILESCC(CC/N=C(\N)N1CCCCC1)N(C)Cc1ccccc1
InChIInChI=1S/C18H30N4/c1-16(21(2)15-17-9-5-3-6-10-17)11-12-20-18(19)22-13-7-4-8-14-22/h3,5-6,9-10,16H,4,7-8,11-15H2,1-2H3,(H2,19,20)
InChIKeyCAHZUEREZOOXJA-UHFFFAOYSA-N
MW302.47 g/mol
LogP2.70
Rot. Bonds6

About N'-[3-[benzyl(methyl)amino]butyl]piperidine-1-carboximidamide

N'-[3-[benzyl(methyl)amino]butyl]piperidine-1-carboximidamide (PubChem CID 111600364) has the molecular formula C18H30N4 and a molecular weight of 302.47 g/mol. Its IUPAC name is N'-[3-[benzyl(methyl)amino]butyl]piperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[3-[benzyl(methyl)amino]butyl]piperidine-1-carboximidamide
PubChem CID111600364
Molecular FormulaC18H30N4
Molecular Weight302.47 g/mol
Exact Mass302.25
IUPAC NameN'-[3-[benzyl(methyl)amino]butyl]piperidine-1-carboximidamide
SMILESCC(CC/N=C(\N)N1CCCCC1)N(C)Cc1ccccc1
InChIInChI=1S/C18H30N4/c1-16(21(2)15-17-9-5-3-6-10-17)11-12-20-18(19)22-13-7-4-8-14-22/h3,5-6,9-10,16H,4,7-8,11-15H2,1-2H3,(H2,19,20)
InChIKeyCAHZUEREZOOXJA-UHFFFAOYSA-N
XLogP2.70
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.47
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N'-[3-[benzyl(methyl)amino]butyl]piperidine-1-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-[benzyl(methyl)amino]butyl]-1,1-diethylguanidine;hydroiodide
CID 111600325
2-[3-[benzyl(methyl)amino]butyl]-1-ethylguanidine;hydroiodide
CID 111600361
2-[benzyl(methyl)amino]-1-piperidin-1-ylpropan-1-one
CID 78786454
N'-[2-(3-methylphenyl)ethyl]piperidine-1-carboximidamide
CID 111077789
2-[3-[benzyl(methyl)amino]butyl]-1-(3-methylphenyl)guanidine
CID 111600356
2-[3-[benzyl(methyl)amino]butyl]-1-(4-methoxyphenyl)guanidine
CID 111600358
3-methyl-N'-(2-phenylethyl)piperidine-1-carboximidamide
CID 111022901
2-[3-[benzyl(methyl)amino]butyl]-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111600359
N'-propylazocane-1-carboximidamide
CID 62361040
N'-[3-[4-(dimethylamino)phenyl]propyl]piperidine-1-carboximidamide
CID 111067892
2-[3-[benzyl(methyl)amino]butyl]-1-ethyl-3-(2-hydroxyethyl)guanidine;hydroiodide
CID 111989008
N'-[[3-(diethylaminomethyl)phenyl]methyl]piperidine-1-carboximidamide
CID 111051112

Frequently Asked Questions

What is the IUPAC name of N'-[3-[benzyl(methyl)amino]butyl]piperidine-1-carboximidamide?
The IUPAC name of N'-[3-[benzyl(methyl)amino]butyl]piperidine-1-carboximidamide (CID 111600364) is N'-[3-[benzyl(methyl)amino]butyl]piperidine-1-carboximidamide.
What is the SMILES notation for N'-[3-[benzyl(methyl)amino]butyl]piperidine-1-carboximidamide?
The canonical SMILES for N'-[3-[benzyl(methyl)amino]butyl]piperidine-1-carboximidamide is CC(CC/N=C(\N)N1CCCCC1)N(C)Cc1ccccc1.
What is the InChIKey of N'-[3-[benzyl(methyl)amino]butyl]piperidine-1-carboximidamide?
The InChIKey is CAHZUEREZOOXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4/c1-16(21(2)15-17-9-5-3-6-10-17)11-12-20-18(19)22-13-7-4-8-14-22/h3,5-6,9-10,16H,4,7-8,11-15H2,1-2H3,(H2,19,20).
What are the key properties of N'-[3-[benzyl(methyl)amino]butyl]piperidine-1-carboximidamide?
N'-[3-[benzyl(methyl)amino]butyl]piperidine-1-carboximidamide has a molecular weight of 302.47 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-[benzyl(methyl)amino]butyl]piperidine-1-carboximidamide is sourced from PubChem (CID 111600364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).