N'-[2-(4-chlorophenoxy)ethyl]-3-methylpiperidine-1-carboximidamide

C15H22ClN3O — CID 111032344

IUPACN'-[2-(4-chlorophenoxy)ethyl]-3-methylpiperidine-1-carboximidamide
SMILESCC1CCCN(/C(N)=N/CCOc2ccc(Cl)cc2)C1
InChIInChI=1S/C15H22ClN3O/c1-12-3-2-9-19(11-12)15(17)18-8-10-20-14-6-4-13(16)5-7-14/h4-7,12H,2-3,8-11H2,1H3,(H2,17,18)
InChIKeyGFEAMFBHPFBKEX-UHFFFAOYSA-N
MW295.81 g/mol
LogP2.77
Rot. Bonds4

About N'-[2-(4-chlorophenoxy)ethyl]-3-methylpiperidine-1-carboximidamide

N'-[2-(4-chlorophenoxy)ethyl]-3-methylpiperidine-1-carboximidamide (PubChem CID 111032344) has the molecular formula C15H22ClN3O and a molecular weight of 295.81 g/mol. Its IUPAC name is N'-[2-(4-chlorophenoxy)ethyl]-3-methylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[2-(4-chlorophenoxy)ethyl]-3-methylpiperidine-1-carboximidamide
PubChem CID111032344
Molecular FormulaC15H22ClN3O
Molecular Weight295.81 g/mol
Exact Mass295.15
IUPAC NameN'-[2-(4-chlorophenoxy)ethyl]-3-methylpiperidine-1-carboximidamide
SMILESCC1CCCN(/C(N)=N/CCOc2ccc(Cl)cc2)C1
InChIInChI=1S/C15H22ClN3O/c1-12-3-2-9-19(11-12)15(17)18-8-10-20-14-6-4-13(16)5-7-14/h4-7,12H,2-3,8-11H2,1H3,(H2,17,18)
InChIKeyGFEAMFBHPFBKEX-UHFFFAOYSA-N
XLogP2.77
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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'-[2-(3,4-difluorophenoxy)ethyl]-3-methylpiperidine-1-carboximidamide
CID 111806118
N'-[2-(4-chlorophenoxy)ethyl]-4-methylpiperidine-1-carboximidamide
CID 110920656
N'-[2-(3-chlorophenoxy)ethyl]-3-methylpiperidine-1-carboximidamide
CID 111071453
3-methyl-N'-(3-phenoxypropyl)piperidine-1-carboximidamide
CID 111036940
N'-[2-(3-chlorophenoxy)ethyl]-4-methylpiperidine-1-carboximidamide
CID 110920552
N'-[2-(4-methylphenoxy)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111026890
N'-[N'-[(4-chlorophenyl)methyl]carbamimidoyl]-3-methylpiperidine-1-carboximidamide;hydrochloride
CID 158187066
N'-[(5-methoxy-2-pyridinyl)methyl]-3-methylpiperidine-1-carboximidamide
CID 120580585
[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2-(4-chlorophenoxy)acetate
CID 5017264
3-methyl-N'-(2-phenylethyl)piperidine-1-carboximidamide
CID 111022901
N'-[3-(2-chlorophenyl)propyl]-3-methylpiperidine-1-carboximidamide
CID 111806836
N'-[(3-chloro-4-fluorophenyl)methyl]-3-methylpiperidine-1-carboximidamide
CID 111045706

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-chlorophenoxy)ethyl]-3-methylpiperidine-1-carboximidamide?
The IUPAC name of N'-[2-(4-chlorophenoxy)ethyl]-3-methylpiperidine-1-carboximidamide (CID 111032344) is N'-[2-(4-chlorophenoxy)ethyl]-3-methylpiperidine-1-carboximidamide.
What is the SMILES notation for N'-[2-(4-chlorophenoxy)ethyl]-3-methylpiperidine-1-carboximidamide?
The canonical SMILES for N'-[2-(4-chlorophenoxy)ethyl]-3-methylpiperidine-1-carboximidamide is CC1CCCN(/C(N)=N/CCOc2ccc(Cl)cc2)C1.
What is the InChIKey of N'-[2-(4-chlorophenoxy)ethyl]-3-methylpiperidine-1-carboximidamide?
The InChIKey is GFEAMFBHPFBKEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O/c1-12-3-2-9-19(11-12)15(17)18-8-10-20-14-6-4-13(16)5-7-14/h4-7,12H,2-3,8-11H2,1H3,(H2,17,18).
What are the key properties of N'-[2-(4-chlorophenoxy)ethyl]-3-methylpiperidine-1-carboximidamide?
N'-[2-(4-chlorophenoxy)ethyl]-3-methylpiperidine-1-carboximidamide has a molecular weight of 295.81 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-chlorophenoxy)ethyl]-3-methylpiperidine-1-carboximidamide is sourced from PubChem (CID 111032344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).