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

C14H19ClFN3 — CID 111045706

IUPACN'-[(3-chloro-4-fluorophenyl)methyl]-3-methylpiperidine-1-carboximidamide
SMILESCC1CCCN(/C(N)=N/Cc2ccc(F)c(Cl)c2)C1
InChIInChI=1S/C14H19ClFN3/c1-10-3-2-6-19(9-10)14(17)18-8-11-4-5-13(16)12(15)7-11/h4-5,7,10H,2-3,6,8-9H2,1H3,(H2,17,18)
InChIKeyATOUHDIYVSXZKP-UHFFFAOYSA-N
MW283.78 g/mol
LogP3.03
Rot. Bonds2

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

N'-[(3-chloro-4-fluorophenyl)methyl]-3-methylpiperidine-1-carboximidamide (PubChem CID 111045706) has the molecular formula C14H19ClFN3 and a molecular weight of 283.78 g/mol. Its IUPAC name is N'-[(3-chloro-4-fluorophenyl)methyl]-3-methylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[(3-chloro-4-fluorophenyl)methyl]-3-methylpiperidine-1-carboximidamide
PubChem CID111045706
Molecular FormulaC14H19ClFN3
Molecular Weight283.78 g/mol
Exact Mass283.13
IUPAC NameN'-[(3-chloro-4-fluorophenyl)methyl]-3-methylpiperidine-1-carboximidamide
SMILESCC1CCCN(/C(N)=N/Cc2ccc(F)c(Cl)c2)C1
InChIInChI=1S/C14H19ClFN3/c1-10-3-2-6-19(9-10)14(17)18-8-11-4-5-13(16)12(15)7-11/h4-5,7,10H,2-3,6,8-9H2,1H3,(H2,17,18)
InChIKeyATOUHDIYVSXZKP-UHFFFAOYSA-N
XLogP3.03
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.78
LogP ≤ 53.03
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'-[(3-chloro-4-fluorophenyl)methyl]piperidine-1-carboximidamide
CID 111045730
N'-[N'-[(4-chlorophenyl)methyl]carbamimidoyl]-3-methylpiperidine-1-carboximidamide;hydrochloride
CID 158187066
3-methyl-N'-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboximidamide
CID 111037394
4-[[[amino-(3-methylpiperidin-1-yl)methylidene]amino]methyl]benzamide
CID 111030232
N'-[[4-(2,5-dihydropyrrol-1-yl)phenyl]methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111816739
N'-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-methylpiperidine-1-carboximidamide
CID 119118072
3-methyl-N'-[(1-methylpyrazol-4-yl)methyl]piperidine-1-carboximidamide
CID 111081464
N'-[(2-methoxy-4-pyridinyl)methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111041610
N'-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methyl]-3-methylpiperidine-1-carboximidamide
CID 111066663
3-methyl-N'-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 111048077
3-methyl-N'-(pyridin-3-ylmethyl)piperidine-1-carboximidamide
CID 111023364
N'-[(2-bromo-5-fluorophenyl)methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111045773

Frequently Asked Questions

What is the IUPAC name of N'-[(3-chloro-4-fluorophenyl)methyl]-3-methylpiperidine-1-carboximidamide?
The IUPAC name of N'-[(3-chloro-4-fluorophenyl)methyl]-3-methylpiperidine-1-carboximidamide (CID 111045706) is N'-[(3-chloro-4-fluorophenyl)methyl]-3-methylpiperidine-1-carboximidamide.
What is the SMILES notation for N'-[(3-chloro-4-fluorophenyl)methyl]-3-methylpiperidine-1-carboximidamide?
The canonical SMILES for N'-[(3-chloro-4-fluorophenyl)methyl]-3-methylpiperidine-1-carboximidamide is CC1CCCN(/C(N)=N/Cc2ccc(F)c(Cl)c2)C1.
What is the InChIKey of N'-[(3-chloro-4-fluorophenyl)methyl]-3-methylpiperidine-1-carboximidamide?
The InChIKey is ATOUHDIYVSXZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFN3/c1-10-3-2-6-19(9-10)14(17)18-8-11-4-5-13(16)12(15)7-11/h4-5,7,10H,2-3,6,8-9H2,1H3,(H2,17,18).
What are the key properties of N'-[(3-chloro-4-fluorophenyl)methyl]-3-methylpiperidine-1-carboximidamide?
N'-[(3-chloro-4-fluorophenyl)methyl]-3-methylpiperidine-1-carboximidamide has a molecular weight of 283.78 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3-chloro-4-fluorophenyl)methyl]-3-methylpiperidine-1-carboximidamide is sourced from PubChem (CID 111045706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).