N'-[[4-(dimethylamino)-3-fluorophenyl]methyl]-4-methylpiperidine-1-carboximidamide

C16H25FN4 — CID 110920413

IUPACN'-[[4-(dimethylamino)-3-fluorophenyl]methyl]-4-methylpiperidine-1-carboximidamide
SMILESCC1CCN(/C(N)=N/Cc2ccc(N(C)C)c(F)c2)CC1
InChIInChI=1S/C16H25FN4/c1-12-6-8-21(9-7-12)16(18)19-11-13-4-5-15(20(2)3)14(17)10-13/h4-5,10,12H,6-9,11H2,1-3H3,(H2,18,19)
InChIKeyVYHHJZGJWLEEDE-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.44
Rot. Bonds3

About N'-[[4-(dimethylamino)-3-fluorophenyl]methyl]-4-methylpiperidine-1-carboximidamide

N'-[[4-(dimethylamino)-3-fluorophenyl]methyl]-4-methylpiperidine-1-carboximidamide (PubChem CID 110920413) has the molecular formula C16H25FN4 and a molecular weight of 292.40 g/mol. Its IUPAC name is N'-[[4-(dimethylamino)-3-fluorophenyl]methyl]-4-methylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[[4-(dimethylamino)-3-fluorophenyl]methyl]-4-methylpiperidine-1-carboximidamide
PubChem CID110920413
Molecular FormulaC16H25FN4
Molecular Weight292.40 g/mol
Exact Mass292.21
IUPAC NameN'-[[4-(dimethylamino)-3-fluorophenyl]methyl]-4-methylpiperidine-1-carboximidamide
SMILESCC1CCN(/C(N)=N/Cc2ccc(N(C)C)c(F)c2)CC1
InChIInChI=1S/C16H25FN4/c1-12-6-8-21(9-7-12)16(18)19-11-13-4-5-15(20(2)3)14(17)10-13/h4-5,10,12H,6-9,11H2,1-3H3,(H2,18,19)
InChIKeyVYHHJZGJWLEEDE-UHFFFAOYSA-N
XLogP2.44
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.44
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'-[[4-(dimethylamino)-3-fluorophenyl]methyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110920412
N'-[[4-(dimethylamino)-3-fluorophenyl]methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111087424
N'-(1,3-benzodioxol-5-ylmethyl)-4-methylpiperidine-1-carboximidamide
CID 110919465
N'-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-4-methylpiperidine-1-carboximidamide
CID 110920995
N'-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110935085
N'-[(3-bromo-5-fluorophenyl)methyl]-4-methylpiperidine-1-carboximidamide
CID 110920809
4-methyl-N'-[[3-(trifluoromethyl)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 110919533
N'-[(3-methoxy-4-methylphenyl)methyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110920623
N'-[(5-bromo-2-fluorophenyl)methyl]-4-methylpiperidine-1-carboximidamide
CID 110919760
N'-[[3-(methoxymethyl)phenyl]methyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110920083
N'-[(3-bromo-4-methoxyphenyl)methyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110927914
N'-[[3-(2,5-dihydropyrrol-1-yl)phenyl]methyl]-4-methylpiperidine-1-carboximidamide
CID 111466070

Frequently Asked Questions

What is the IUPAC name of N'-[[4-(dimethylamino)-3-fluorophenyl]methyl]-4-methylpiperidine-1-carboximidamide?
The IUPAC name of N'-[[4-(dimethylamino)-3-fluorophenyl]methyl]-4-methylpiperidine-1-carboximidamide (CID 110920413) is N'-[[4-(dimethylamino)-3-fluorophenyl]methyl]-4-methylpiperidine-1-carboximidamide.
What is the SMILES notation for N'-[[4-(dimethylamino)-3-fluorophenyl]methyl]-4-methylpiperidine-1-carboximidamide?
The canonical SMILES for N'-[[4-(dimethylamino)-3-fluorophenyl]methyl]-4-methylpiperidine-1-carboximidamide is CC1CCN(/C(N)=N/Cc2ccc(N(C)C)c(F)c2)CC1.
What is the InChIKey of N'-[[4-(dimethylamino)-3-fluorophenyl]methyl]-4-methylpiperidine-1-carboximidamide?
The InChIKey is VYHHJZGJWLEEDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN4/c1-12-6-8-21(9-7-12)16(18)19-11-13-4-5-15(20(2)3)14(17)10-13/h4-5,10,12H,6-9,11H2,1-3H3,(H2,18,19).
What are the key properties of N'-[[4-(dimethylamino)-3-fluorophenyl]methyl]-4-methylpiperidine-1-carboximidamide?
N'-[[4-(dimethylamino)-3-fluorophenyl]methyl]-4-methylpiperidine-1-carboximidamide has a molecular weight of 292.40 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[4-(dimethylamino)-3-fluorophenyl]methyl]-4-methylpiperidine-1-carboximidamide is sourced from PubChem (CID 110920413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).