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

C16H24ClN3 — CID 111806836

IUPACN'-[3-(2-chlorophenyl)propyl]-3-methylpiperidine-1-carboximidamide
SMILESCC1CCCN(/C(N)=N/CCCc2ccccc2Cl)C1
InChIInChI=1S/C16H24ClN3/c1-13-6-5-11-20(12-13)16(18)19-10-4-8-14-7-2-3-9-15(14)17/h2-3,7,9,13H,4-6,8,10-12H2,1H3,(H2,18,19)
InChIKeyNIKALQZRFLYPJJ-UHFFFAOYSA-N
MW293.84 g/mol
LogP3.32
Rot. Bonds4

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

N'-[3-(2-chlorophenyl)propyl]-3-methylpiperidine-1-carboximidamide (PubChem CID 111806836) has the molecular formula C16H24ClN3 and a molecular weight of 293.84 g/mol. Its IUPAC name is N'-[3-(2-chlorophenyl)propyl]-3-methylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[3-(2-chlorophenyl)propyl]-3-methylpiperidine-1-carboximidamide
PubChem CID111806836
Molecular FormulaC16H24ClN3
Molecular Weight293.84 g/mol
Exact Mass293.17
IUPAC NameN'-[3-(2-chlorophenyl)propyl]-3-methylpiperidine-1-carboximidamide
SMILESCC1CCCN(/C(N)=N/CCCc2ccccc2Cl)C1
InChIInChI=1S/C16H24ClN3/c1-13-6-5-11-20(12-13)16(18)19-10-4-8-14-7-2-3-9-15(14)17/h2-3,7,9,13H,4-6,8,10-12H2,1H3,(H2,18,19)
InChIKeyNIKALQZRFLYPJJ-UHFFFAOYSA-N
XLogP3.32
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.84
LogP ≤ 53.32
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'}

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Related Compounds

N'-[3-(2-chlorophenyl)propyl]piperidine-1-carboximidamide
CID 111806874
N'-[2-(2-chlorophenyl)ethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110920368
3-methyl-N'-(2-phenylethyl)piperidine-1-carboximidamide
CID 111022901
3-methyl-N'-(3-phenoxypropyl)piperidine-1-carboximidamide
CID 111036940
N'-[4-(1,3-dihydroisoindol-2-yl)-4-oxobutyl]-3-methylpiperidine-1-carboximidamide
CID 111810724
N-[2-[[amino-(3-methylpiperidin-1-yl)methylidene]amino]ethyl]-2-chlorobenzamide;hydroiodide
CID 111043317
3-methyl-N'-[3-(4-methylpiperidin-1-yl)propyl]piperidine-1-carboximidamide
CID 111034873
N'-(2-chloroanilino)-3-methylpiperidine-1-carboximidamide
CID 10445670
3-methyl-N'-[2-(N-methylanilino)ethyl]piperidine-1-carboximidamide
CID 111037466
N'-[2-(2-hydroxy-3-methoxyphenyl)ethyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111100219
N'-[3-(1-benzylpiperidin-4-yl)oxypropyl]-3-methylpiperidine-1-carboximidamide
CID 111752022
N'-[2-(4-chlorophenoxy)ethyl]-3-methylpiperidine-1-carboximidamide
CID 111032344

Frequently Asked Questions

What is the IUPAC name of N'-[3-(2-chlorophenyl)propyl]-3-methylpiperidine-1-carboximidamide?
The IUPAC name of N'-[3-(2-chlorophenyl)propyl]-3-methylpiperidine-1-carboximidamide (CID 111806836) is N'-[3-(2-chlorophenyl)propyl]-3-methylpiperidine-1-carboximidamide.
What is the SMILES notation for N'-[3-(2-chlorophenyl)propyl]-3-methylpiperidine-1-carboximidamide?
The canonical SMILES for N'-[3-(2-chlorophenyl)propyl]-3-methylpiperidine-1-carboximidamide is CC1CCCN(/C(N)=N/CCCc2ccccc2Cl)C1.
What is the InChIKey of N'-[3-(2-chlorophenyl)propyl]-3-methylpiperidine-1-carboximidamide?
The InChIKey is NIKALQZRFLYPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3/c1-13-6-5-11-20(12-13)16(18)19-10-4-8-14-7-2-3-9-15(14)17/h2-3,7,9,13H,4-6,8,10-12H2,1H3,(H2,18,19).
What are the key properties of N'-[3-(2-chlorophenyl)propyl]-3-methylpiperidine-1-carboximidamide?
N'-[3-(2-chlorophenyl)propyl]-3-methylpiperidine-1-carboximidamide has a molecular weight of 293.84 g/mol, XLogP of 3.32, 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]-3-methylpiperidine-1-carboximidamide is sourced from PubChem (CID 111806836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).