N'-[3-(2-chlorophenyl)propyl]piperidine-1-carboximidamide

C15H22ClN3 — CID 111806874

IUPACN'-[3-(2-chlorophenyl)propyl]piperidine-1-carboximidamide
SMILESN/C(=N\CCCc1ccccc1Cl)N1CCCCC1
InChIInChI=1S/C15H22ClN3/c16-14-9-3-2-7-13(14)8-6-10-18-15(17)19-11-4-1-5-12-19/h2-3,7,9H,1,4-6,8,10-12H2,(H2,17,18)
InChIKeyLHUXXUKQUZNYOO-UHFFFAOYSA-N
MW279.81 g/mol
LogP3.07
Rot. Bonds4

About N'-[3-(2-chlorophenyl)propyl]piperidine-1-carboximidamide

N'-[3-(2-chlorophenyl)propyl]piperidine-1-carboximidamide (PubChem CID 111806874) has the molecular formula C15H22ClN3 and a molecular weight of 279.81 g/mol. Its IUPAC name is N'-[3-(2-chlorophenyl)propyl]piperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[3-(2-chlorophenyl)propyl]piperidine-1-carboximidamide
PubChem CID111806874
Molecular FormulaC15H22ClN3
Molecular Weight279.81 g/mol
Exact Mass279.15
IUPAC NameN'-[3-(2-chlorophenyl)propyl]piperidine-1-carboximidamide
SMILESN/C(=N\CCCc1ccccc1Cl)N1CCCCC1
InChIInChI=1S/C15H22ClN3/c16-14-9-3-2-7-13(14)8-6-10-18-15(17)19-11-4-1-5-12-19/h2-3,7,9H,1,4-6,8,10-12H2,(H2,17,18)
InChIKeyLHUXXUKQUZNYOO-UHFFFAOYSA-N
XLogP3.07
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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'}

Analyze N'-[3-(2-chlorophenyl)propyl]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

N'-[3-(2-chlorophenyl)propyl]-3-methylpiperidine-1-carboximidamide
CID 111806836
N'-[2-(2-chlorophenyl)ethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110920368
N'-(2-naphthalen-1-ylethyl)piperidine-1-carboximidamide
CID 111060631
2-[3-(2-chlorophenyl)propyl]-1-cyclohexylguanidine
CID 111806872
N'-[6-[[amino(azepan-1-yl)methylidene]amino]hexyl]azepane-1-carboximidamide
CID 110062207
N'-[2-(4-chlorophenyl)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111024810
N'-[3-[4-(dimethylamino)phenyl]propyl]piperidine-1-carboximidamide
CID 111067892
N'-(3-phenylsulfanylpropyl)piperidine-1-carboximidamide;hydroiodide
CID 111027125
N'-[[2-(hydroxymethyl)phenyl]methyl]piperidine-1-carboximidamide
CID 111077355
N'-(3-pyrrolidin-1-ylpropyl)azepane-1-carboximidamide
CID 86779268
N'-[3-[4-(dimethylamino)phenyl]propyl]piperidine-1-carboximidamide;hydroiodide
CID 111067891
N'-(3-pyrrolidin-1-ylpropyl)piperidine-1-carboximidamide;hydroiodide
CID 111034812

Frequently Asked Questions

What is the IUPAC name of N'-[3-(2-chlorophenyl)propyl]piperidine-1-carboximidamide?
The IUPAC name of N'-[3-(2-chlorophenyl)propyl]piperidine-1-carboximidamide (CID 111806874) is N'-[3-(2-chlorophenyl)propyl]piperidine-1-carboximidamide.
What is the SMILES notation for N'-[3-(2-chlorophenyl)propyl]piperidine-1-carboximidamide?
The canonical SMILES for N'-[3-(2-chlorophenyl)propyl]piperidine-1-carboximidamide is N/C(=N\CCCc1ccccc1Cl)N1CCCCC1.
What is the InChIKey of N'-[3-(2-chlorophenyl)propyl]piperidine-1-carboximidamide?
The InChIKey is LHUXXUKQUZNYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3/c16-14-9-3-2-7-13(14)8-6-10-18-15(17)19-11-4-1-5-12-19/h2-3,7,9H,1,4-6,8,10-12H2,(H2,17,18).
What are the key properties of N'-[3-(2-chlorophenyl)propyl]piperidine-1-carboximidamide?
N'-[3-(2-chlorophenyl)propyl]piperidine-1-carboximidamide has a molecular weight of 279.81 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(2-chlorophenyl)propyl]piperidine-1-carboximidamide is sourced from PubChem (CID 111806874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).