N'-[2-(3-methylphenyl)ethyl]piperidine-1-carboximidamide

C15H23N3 — CID 111077789

IUPACN'-[2-(3-methylphenyl)ethyl]piperidine-1-carboximidamide
SMILESCc1cccc(CC/N=C(\N)N2CCCCC2)c1
InChIInChI=1S/C15H23N3/c1-13-6-5-7-14(12-13)8-9-17-15(16)18-10-3-2-4-11-18/h5-7,12H,2-4,8-11H2,1H3,(H2,16,17)
InChIKeyNBLKRCOELXTPKG-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.34
Rot. Bonds3

About N'-[2-(3-methylphenyl)ethyl]piperidine-1-carboximidamide

N'-[2-(3-methylphenyl)ethyl]piperidine-1-carboximidamide (PubChem CID 111077789) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is N'-[2-(3-methylphenyl)ethyl]piperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[2-(3-methylphenyl)ethyl]piperidine-1-carboximidamide
PubChem CID111077789
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC NameN'-[2-(3-methylphenyl)ethyl]piperidine-1-carboximidamide
SMILESCc1cccc(CC/N=C(\N)N2CCCCC2)c1
InChIInChI=1S/C15H23N3/c1-13-6-5-7-14(12-13)8-9-17-15(16)18-10-3-2-4-11-18/h5-7,12H,2-4,8-11H2,1H3,(H2,16,17)
InChIKeyNBLKRCOELXTPKG-UHFFFAOYSA-N
XLogP2.34
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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'-[2-(3-methylphenoxy)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111032037
N'-[2-(3-methylphenyl)propyl]piperidine-1-carboximidamide;hydroiodide
CID 111819205
N'-[2-(6-methyl-3-pyridinyl)ethyl]azepane-1-carboximidamide
CID 75513059
N'-[2-(3,4-diethoxyphenyl)ethyl]piperidine-1-carboximidamide
CID 111026080
N'-[2-(3,4-diethoxyphenyl)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111026079
N'-[2-(4-chlorophenyl)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111024810
N'-[2-(3-bromo-4-fluorophenyl)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111076048
N'-[2-(3-methylphenoxy)propyl]piperidine-1-carboximidamide;hydroiodide
CID 111820723
N'-[2-(3-hydroxyphenyl)ethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110935123
N'-(2-naphthalen-1-ylethyl)piperidine-1-carboximidamide
CID 111060631
N'-[2-(3,5-dimethylphenyl)ethyl]-3-methylpiperidine-1-carboximidamide
CID 111818646
N'-[2-(4-methylphenyl)ethyl]thiomorpholine-4-carboximidamide
CID 111814110

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3-methylphenyl)ethyl]piperidine-1-carboximidamide?
The IUPAC name of N'-[2-(3-methylphenyl)ethyl]piperidine-1-carboximidamide (CID 111077789) is N'-[2-(3-methylphenyl)ethyl]piperidine-1-carboximidamide.
What is the SMILES notation for N'-[2-(3-methylphenyl)ethyl]piperidine-1-carboximidamide?
The canonical SMILES for N'-[2-(3-methylphenyl)ethyl]piperidine-1-carboximidamide is Cc1cccc(CC/N=C(\N)N2CCCCC2)c1.
What is the InChIKey of N'-[2-(3-methylphenyl)ethyl]piperidine-1-carboximidamide?
The InChIKey is NBLKRCOELXTPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-13-6-5-7-14(12-13)8-9-17-15(16)18-10-3-2-4-11-18/h5-7,12H,2-4,8-11H2,1H3,(H2,16,17).
What are the key properties of N'-[2-(3-methylphenyl)ethyl]piperidine-1-carboximidamide?
N'-[2-(3-methylphenyl)ethyl]piperidine-1-carboximidamide has a molecular weight of 245.37 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3-methylphenyl)ethyl]piperidine-1-carboximidamide is sourced from PubChem (CID 111077789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).