N'-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-methylpiperidine-1-carboximidamide

C17H28N4 — CID 110919433

IUPACN'-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-methylpiperidine-1-carboximidamide
SMILESCC1CCN(/C(N)=N/Cc2ccccc2CN(C)C)CC1
InChIInChI=1S/C17H28N4/c1-14-8-10-21(11-9-14)17(18)19-12-15-6-4-5-7-16(15)13-20(2)3/h4-7,14H,8-13H2,1-3H3,(H2,18,19)
InChIKeyQXVNQMJHHDAEJW-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.29
Rot. Bonds4

About N'-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-methylpiperidine-1-carboximidamide

N'-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-methylpiperidine-1-carboximidamide (PubChem CID 110919433) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is N'-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-methylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-methylpiperidine-1-carboximidamide
PubChem CID110919433
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC NameN'-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-methylpiperidine-1-carboximidamide
SMILESCC1CCN(/C(N)=N/Cc2ccccc2CN(C)C)CC1
InChIInChI=1S/C17H28N4/c1-14-8-10-21(11-9-14)17(18)19-12-15-6-4-5-7-16(15)13-20(2)3/h4-7,14H,8-13H2,1-3H3,(H2,18,19)
InChIKeyQXVNQMJHHDAEJW-UHFFFAOYSA-N
XLogP2.29
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.29
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'}

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Related Compounds

N'-[[2-(hydroxymethyl)phenyl]methyl]-4-methylpiperidine-1-carboximidamide
CID 110920840
N'-[[2-(diethylaminomethyl)phenyl]methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111036311
N'-[(2-hydroxy-3-methoxyphenyl)methyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110935470
N'-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]morpholine-4-carboximidamide;hydroiodide
CID 111077954
4-methyl-N'-[2-(N-methylanilino)ethyl]piperidine-1-carboximidamide
CID 110919342
N'-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]thiomorpholine-4-carboximidamide
CID 111047572
4-methyl-N'-[(1-methylpyrrol-2-yl)methyl]piperidine-1-carboximidamide
CID 119146676
N'-[2-(2-chlorophenyl)ethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110920368
4-methyl-N'-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 110026747
N'-[(5-bromo-2-fluorophenyl)methyl]-4-methylpiperidine-1-carboximidamide
CID 110919760
N'-(1,3-benzodioxol-5-ylmethyl)-4-methylpiperidine-1-carboximidamide
CID 110919465
N'-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110920081

Frequently Asked Questions

What is the IUPAC name of N'-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-methylpiperidine-1-carboximidamide?
The IUPAC name of N'-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-methylpiperidine-1-carboximidamide (CID 110919433) is N'-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-methylpiperidine-1-carboximidamide.
What is the SMILES notation for N'-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-methylpiperidine-1-carboximidamide?
The canonical SMILES for N'-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-methylpiperidine-1-carboximidamide is CC1CCN(/C(N)=N/Cc2ccccc2CN(C)C)CC1.
What is the InChIKey of N'-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-methylpiperidine-1-carboximidamide?
The InChIKey is QXVNQMJHHDAEJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1-14-8-10-21(11-9-14)17(18)19-12-15-6-4-5-7-16(15)13-20(2)3/h4-7,14H,8-13H2,1-3H3,(H2,18,19).
What are the key properties of N'-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-methylpiperidine-1-carboximidamide?
N'-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-methylpiperidine-1-carboximidamide has a molecular weight of 288.44 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-methylpiperidine-1-carboximidamide is sourced from PubChem (CID 110919433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).